data_1jkz_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 1jkz _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' HD22 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.6 t60 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.551 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' C ' HD22 ' A' ' 30' ' ' LEU . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 31' ' ' ILE . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.551 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.623 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.2 m-70 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.437 HG23 HD13 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG11 ' CE3' ' A' ' 38' ' ' TRP . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.655 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 12.7 t60 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.566 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.429 ' C ' HD13 ' A' ' 30' ' ' LEU . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.685 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.9 m-70 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CE3' HG11 ' A' ' 13' ' ' VAL . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.685 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HB2' HD22 ' A' ' 30' ' ' LEU . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.442 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG13 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 19.4 t60 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.65 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.621 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.432 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.65 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.526 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.5 m-70 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HE3' HG13 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HB2' HD22 ' A' ' 30' ' ' LEU . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.531 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.49 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 5.6 t60 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 44' ' ' GLN . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.7 m-70 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' HIS . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HD21 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.59 ' HB2' HD23 ' A' ' 30' ' ' LEU . 7.5 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 27' ' ' LYS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.809 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.716 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.809 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.428 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' ' HE2' ' A' ' 10' ' ' TYR . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.64 0.257 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.631 ' HG2' HG23 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' O ' HD22 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.556 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.633 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 35' ' ' CYS . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.617 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.2 m-70 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.403 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HB2' HD22 ' A' ' 30' ' ' LEU . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.553 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.647 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.737 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.737 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.654 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.4 t60 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' C ' HD13 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 29' ' ' HIS . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.601 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 84.4 m-70 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CD1' ' HB2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.605 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 11.0 t60 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.621 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.552 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 44' ' ' GLN . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.55 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 90.2 m-70 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB3' HD21 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' C ' HD13 ' A' ' 30' ' ' LEU . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 89.0 m-70 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' HIS . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' HE1' ' A' ' 41' ' ' PHE . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HB2' HD22 ' A' ' 30' ' ' LEU . 7.8 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.603 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.541 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t60 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.649 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' C ' HD22 ' A' ' 30' ' ' LEU . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.649 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.2 m-70 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HD3' ' CD1' ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB1' ' NE2' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE1' HG12 ' A' ' 13' ' ' VAL . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.611 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.763 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 18.0 t60 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.465 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 92.9 m-70 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.593 ' CE3' HG11 ' A' ' 13' ' ' VAL . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB2' HD13 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.686 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 39' ' ' LYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG11 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.497 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.8 t60 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.453 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 44' ' ' GLN . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.48 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.454 ' CE3' HG11 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.686 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.611 ' HB2' HD23 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.6 t60 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.606 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.409 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.606 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.662 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 93.3 m-70 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 6' ' ' LEU . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.563 HG21 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.887 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.887 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.604 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 31' ' ' ILE . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 0.1 OUTLIER 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 39' ' ' LYS . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HD1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.6 m-70 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.441 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.624 ' HD3' HD13 ' A' ' 6' ' ' LEU . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 39' ' ' LYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.675 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t60 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.555 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 31' ' ' ILE . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.555 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.658 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.9 m-70 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HE3' ' N ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' HD11 ' A' ' 6' ' ' LEU . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.558 ' HB2' HD22 ' A' ' 30' ' ' LEU . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HB2' ' HE1' ' A' ' 5' ' ' HIS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.429 ' HE1' ' HB2' ' A' ' 3' ' ' CYS . 41.0 m80 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 39' ' ' LYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 15.9 t60 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.562 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.695 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.413 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.562 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.634 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.2 m-70 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HB3' HD11 ' A' ' 6' ' ' LEU . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.643 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.634 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' HD22 ' A' ' 30' ' ' LEU . 7.4 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 39' ' ' LYS . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.473 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 14.2 t60 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.677 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.513 ' C ' HD13 ' A' ' 30' ' ' LEU . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.677 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.652 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.491 ' HA ' HG11 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.666 ' HB3' HD22 ' A' ' 6' ' ' LEU . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 4' ' ' GLU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HB2' HD23 ' A' ' 30' ' ' LEU . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.679 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.663 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.2 t60 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.521 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' HD22 ' A' ' 30' ' ' LEU . 15.1 t-160 -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 31' ' ' ILE . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.521 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.513 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 89.1 m-70 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB3' HD13 ' A' ' 6' ' ' LEU . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CD1' ' HD2' ' A' ' 36' ' ' HIS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.719 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t60 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.8 m-70 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.491 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.24 0.067 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p -132.43 144.19 50.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' HD22 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.6 t60 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.551 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' C ' HD22 ' A' ' 30' ' ' LEU . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 31' ' ' ILE . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.551 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.623 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.2 m-70 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.437 HG23 HD13 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.478 0.18 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -128.61 164.11 23.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG11 ' CE3' ' A' ' 38' ' ' TRP . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.655 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 12.7 t60 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.566 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.429 ' C ' HD13 ' A' ' 30' ' ' LEU . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.566 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.685 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.9 m-70 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CE3' HG11 ' A' ' 13' ' ' VAL . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.685 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' HB2' HD22 ' A' ' 30' ' ' LEU . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.315 0.103 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -143.47 159.64 42.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.442 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG13 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 19.4 t60 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.65 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.621 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.432 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.427 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.65 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.526 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.5 m-70 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.474 ' HE3' HG13 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HB2' HD22 ' A' ' 30' ' ' LEU . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -142.67 165.74 26.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.49 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 5.6 t60 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 44' ' ' GLN . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.7 m-70 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' HIS . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HD21 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.59 ' HB2' HD23 ' A' ' 30' ' ' LEU . 7.5 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 pttp . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.34 0.114 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -128.6 150.2 50.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.53 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 27' ' ' LYS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.809 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.716 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.809 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.428 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' ' HE2' ' A' ' 10' ' ' TYR . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 46' ' ' CYS . 21.7 pttm . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.482 0.182 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -137.78 154.36 49.58 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.18 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.631 ' HG2' HG23 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 40' ' ' CYS . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' O ' HD22 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG21 ' CD1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.556 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.633 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 35' ' ' CYS . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.617 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.2 m-70 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.403 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.631 HG23 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HB2' HD22 ' A' ' 30' ' ' LEU . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 pttm . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 120.457 0.17 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -144.35 159.62 42.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.553 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.647 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.737 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.737 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.654 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.4 t60 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' C ' HD13 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 29' ' ' HIS . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 84.4 m-70 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.601 ' CD1' ' HB2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.553 ' CG2' ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.9 mttp . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p -155.4 163.74 39.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.168 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.605 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.621 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 11.0 t60 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.621 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.552 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.424 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.604 HD23 ' HB2' ' A' ' 44' ' ' GLN . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.55 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 90.2 m-70 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.442 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' HB3' HD21 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.605 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 120.259 0.076 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -145.67 169.76 17.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HG2' ' CG2' ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD11 ' HB2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' C ' HD13 ' A' ' 30' ' ' LEU . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 89.0 m-70 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' HIS . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HG3' ' HE1' ' A' ' 41' ' ' PHE . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' HB2' HD22 ' A' ' 30' ' ' LEU . 7.8 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.308 0.099 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -128.84 139.56 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.603 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.541 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.599 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t60 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.649 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' C ' HD22 ' A' ' 30' ' ' LEU . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.649 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.2 m-70 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HD3' ' CD1' ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.405 0.145 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -137.38 164.99 27.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.644 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB1' ' NE2' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CE1' HG12 ' A' ' 13' ' ' VAL . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.611 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.763 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 18.0 t60 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 92.9 m-70 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.539 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.593 ' CE3' HG11 ' A' ' 13' ' ' VAL . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.578 ' HB2' HD13 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' O ' HG23 ' A' ' 2' ' ' THR . 96.2 mttt . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 1' ' ' LYS . 68.9 p -147.45 170.6 17.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.686 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.737 HD11 ' HB3' ' A' ' 39' ' ' LYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG11 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.644 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.8 t60 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.644 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.453 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 44' ' ' GLN . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.48 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.454 ' CE3' HG11 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.737 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.524 ' HB3' HD21 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.686 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.611 ' HB2' HD23 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.237 0.065 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -118.66 161.73 19.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 41' ' ' PHE . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.552 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.6 t60 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.606 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.409 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.606 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.662 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 93.3 m-70 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.772 0.32 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p -145.4 166.13 26.5 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.786 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.546 HD13 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' HD11 ' A' ' 6' ' ' LEU . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.563 HG21 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.887 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HD3' HD13 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.887 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.604 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.586 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 31' ' ' ILE . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.604 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 0.1 OUTLIER 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 38' ' ' TRP . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 120.294 0.093 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -124.77 141.49 52.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 39' ' ' LYS . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' HD1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.612 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.6 m-70 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.441 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.624 ' HD3' HD13 ' A' ' 6' ' ' LEU . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p -156.55 153.01 28.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.747 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 39' ' ' LYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG21 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.675 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t60 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.555 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 31' ' ' ILE . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.555 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.658 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.9 m-70 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.444 ' HE3' ' N ' ' A' ' 38' ' ' TRP . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' HB3' HD11 ' A' ' 6' ' ' LEU . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.558 ' HB2' HD22 ' A' ' 30' ' ' LEU . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.221 0.057 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p -144.36 164.82 29.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HB2' ' HE1' ' A' ' 5' ' ' HIS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.429 ' HE1' ' HB2' ' A' ' 3' ' ' CYS . 41.0 m80 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 39' ' ' LYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 15.9 t60 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.562 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.695 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.413 ' C ' HD13 ' A' ' 30' ' ' LEU . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.562 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.634 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.2 m-70 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.716 ' HB3' HD11 ' A' ' 6' ' ' LEU . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.643 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.634 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' HD22 ' A' ' 30' ' ' LEU . 7.4 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 120.437 0.161 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p -146.47 151.16 36.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 39' ' ' LYS . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.473 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.591 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 14.2 t60 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.677 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.513 ' C ' HD13 ' A' ' 30' ' ' LEU . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.677 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.652 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.491 ' HA ' HG11 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.666 ' HB3' HD22 ' A' ' 6' ' ' LEU . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.652 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.428 HG22 ' HG2' ' A' ' 4' ' ' GLU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.56 ' HB2' HD23 ' A' ' 30' ' ' LEU . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.401 0.143 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -135.9 161.42 35.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.679 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.663 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.2 t60 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.521 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' HD22 ' A' ' 30' ' ' LEU . 15.1 t-160 -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 31' ' ' ILE . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.521 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.513 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 89.1 m-70 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 36' ' ' HIS . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB3' HD13 ' A' ' 6' ' ' LEU . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CD1' ' HD2' ' A' ' 36' ' ' HIS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.656 0.265 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -147.5 144.51 28.61 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' CD1' ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.719 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t60 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.8 m-70 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.491 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 14' ' ' CYS . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 13' ' ' VAL . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.686 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 6.8 t-160 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 32' ' ' SER . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 44.6 m80 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' HD11 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.732 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.6 t-160 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 35' ' ' CYS . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.696 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 46.6 m80 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.715 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.045 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG11 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.422 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.69 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.8 t-80 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.675 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.675 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 37.3 m80 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HE3' HG11 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 30' ' ' LEU . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 14' ' ' CYS . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.721 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.1 t-160 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.536 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.721 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 43.2 m80 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' HE3' HG13 ' A' ' 13' ' ' VAL . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 1.01 ' HD3' HD11 ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.491 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.825 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' HB3' ' HD1' ' A' ' 38' ' ' TRP . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.482 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.64 0.257 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HG2' HG22 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.65 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG13 ' NE1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.58 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 32' ' ' SER . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 31' ' ' ILE . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.655 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 49.1 m80 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.655 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.555 HG22 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 1.07 ' HG2' HG22 ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.878 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.699 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.753 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.741 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.2 t-160 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.741 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.618 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 31.9 m80 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' HE3' HG22 ' A' ' 13' ' ' VAL . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.878 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.723 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.07 HG22 ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.939 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.989 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.741 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t-80 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.741 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 40.0 m80 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.989 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.939 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 1.019 ' HG2' HG22 ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' CYS . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 37.2 m80 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.462 ' HE3' HG13 ' A' ' 13' ' ' VAL . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HD2' HD22 ' A' ' 6' ' ' LEU . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 1.019 HG22 ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.119 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.644 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.778 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t-160 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.778 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 35.4 m80 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 1.119 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.69 HD12 ' HD2' ' A' ' 39' ' ' LYS . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.999 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.781 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 6' ' ' LEU . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG13 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.62 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.999 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 8.3 t-160 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 43.7 m80 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' HIS . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.69 ' HD2' HD12 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.699 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG13 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.78 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.2 t-160 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.78 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' HG13 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 6' ' ' LEU . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.699 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.615 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 38' ' ' TRP . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.72 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.6 t-80 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.72 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' CYS . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.675 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 39.8 m80 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.502 ' HB3' HG13 ' A' ' 13' ' ' VAL . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.682 ' HD3' HD11 ' A' ' 6' ' ' LEU . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.518 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.914 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG22 ' CE3' ' A' ' 38' ' ' TRP . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.914 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 32' ' ' SER . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.626 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 50.0 p30 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' HG22 ' A' ' 13' ' ' VAL . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.626 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.639 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.588 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' NE1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.583 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.626 HD11 HG23 ' A' ' 43' ' ' THR . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.7 m80 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.584 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.615 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.626 HG23 HD11 ' A' ' 31' ' ' ILE . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 40' ' ' CYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HE1' ' HB ' ' A' ' 13' ' ' VAL . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.73 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.3 t-160 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.73 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.635 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 32' ' ' SER . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' HB2' ' A' ' 41' ' ' PHE . 49.9 m80 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.495 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 38' ' ' TRP . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 10.0 t-160 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 43' ' ' THR . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' TRP . 48.3 m80 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.561 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.729 ' O ' HD12 ' A' ' 6' ' ' LEU . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.594 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' HD22 ' A' ' 30' ' ' LEU . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 32' ' ' SER . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 6' ' ' LEU . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.779 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 10.7 t-160 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.684 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' GLY . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.684 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 36' ' ' HIS . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' LEU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.428 ' C ' HD23 ' A' ' 30' ' ' LEU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.574 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG22 ' HD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.752 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.8 t-160 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 32' ' ' SER . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' TRP . 39.0 m80 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.864 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.802 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.57 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.581 HG13 ' NE1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.761 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.1 t-160 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.761 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 41.7 m80 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.802 ' HD3' HD11 ' A' ' 6' ' ' LEU . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.24 0.067 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p -132.43 144.19 50.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 14' ' ' CYS . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 13' ' ' VAL . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.686 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 6.8 t-160 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 32' ' ' SER . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 44.6 m80 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' HD11 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.478 0.18 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -128.61 164.11 23.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.732 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.6 t-160 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 35' ' ' CYS . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.696 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 46.6 m80 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.715 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.315 0.103 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -143.47 159.64 42.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.045 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG11 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.69 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.8 t-80 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.675 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.675 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 37.3 m80 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HE3' HG11 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 30' ' ' LEU . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -142.67 165.74 26.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 14' ' ' CYS . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.1 t-160 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.536 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.721 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 43.2 m80 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' HE3' HG13 ' A' ' 13' ' ' VAL . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 1.01 ' HD3' HD11 ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 pttp . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.34 0.114 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -128.6 150.2 50.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.491 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.825 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' HB3' ' HD1' ' A' ' 38' ' ' TRP . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.482 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 46' ' ' CYS . 21.7 pttm . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.482 0.182 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -137.78 154.36 49.58 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.18 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HG2' HG22 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.65 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG13 ' NE1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.58 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 32' ' ' SER . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 31' ' ' ILE . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.655 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 49.1 m80 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.655 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.555 HG22 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 pttm . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 120.457 0.17 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -144.35 159.62 42.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 1.07 ' HG2' HG22 ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.878 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.699 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.753 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.741 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.2 t-160 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.741 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.618 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 31.9 m80 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' HE3' HG22 ' A' ' 13' ' ' VAL . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.878 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.723 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.07 HG22 ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.9 mttp . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p -155.4 163.74 39.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.168 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.939 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.989 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.741 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t-80 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.741 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 40.0 m80 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.989 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.939 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 120.259 0.076 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -145.67 169.76 17.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 1.019 ' HG2' HG22 ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' CYS . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 37.2 m80 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.462 ' HE3' HG13 ' A' ' 13' ' ' VAL . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HD2' HD22 ' A' ' 6' ' ' LEU . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.019 HG22 ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.308 0.099 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -128.84 139.56 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.119 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.644 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.778 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t-160 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.778 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 35.4 m80 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 1.119 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.405 0.145 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -137.38 164.99 27.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.69 HD12 ' HD2' ' A' ' 39' ' ' LYS . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.999 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.781 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 6' ' ' LEU . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG13 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.62 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.999 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 8.3 t-160 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 43.7 m80 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' HIS . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.69 ' HD2' HD12 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -147.45 170.6 17.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.699 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG13 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.78 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.2 t-160 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.78 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' HG13 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 6' ' ' LEU . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.699 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.237 0.065 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -118.66 161.73 19.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.686 ' C ' HD23 ' A' ' 6' ' ' LEU . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 38' ' ' TRP . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.72 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.6 t-80 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.72 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' CYS . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.675 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 39.8 m80 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.502 ' HB3' HG13 ' A' ' 13' ' ' VAL . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.682 ' HD3' HD11 ' A' ' 6' ' ' LEU . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.772 0.32 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p -145.4 166.13 26.5 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.786 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.518 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.914 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG22 ' CE3' ' A' ' 38' ' ' TRP . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.914 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 32' ' ' SER . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.626 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 50.0 p30 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' HG22 ' A' ' 13' ' ' VAL . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.626 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 120.294 0.093 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -124.77 141.49 52.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.588 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' NE1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.583 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 HD11 HG23 ' A' ' 43' ' ' THR . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 48.7 m80 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.584 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.626 HG23 HD11 ' A' ' 31' ' ' ILE . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p -156.55 153.01 28.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.747 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 40' ' ' CYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HE1' ' HB ' ' A' ' 13' ' ' VAL . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.73 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 9.3 t-160 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.73 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.635 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 32' ' ' SER . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' ND1' ' HB2' ' A' ' 41' ' ' PHE . 49.9 m80 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.495 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.584 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.221 0.057 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p -144.36 164.82 29.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 38' ' ' TRP . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 10.0 t-160 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.703 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 43' ' ' THR . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' TRP . 48.3 m80 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.561 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.729 ' O ' HD12 ' A' ' 6' ' ' LEU . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.594 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' HD22 ' A' ' 30' ' ' LEU . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 32' ' ' SER . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 120.437 0.161 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p -146.47 151.16 36.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.741 HD13 ' C ' ' A' ' 6' ' ' LEU . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.779 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 10.7 t-160 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.684 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' GLY . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.684 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 36' ' ' HIS . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' LEU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.428 ' C ' HD23 ' A' ' 30' ' ' LEU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.401 0.143 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -135.9 161.42 35.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.574 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG22 ' HD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.752 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 7.8 t-160 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.752 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 32' ' ' SER . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' TRP . 39.0 m80 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.864 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.656 0.265 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -147.5 144.51 28.61 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.802 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.57 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG13 ' NE1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.761 ' CD2' ' HG3' ' A' ' 27' ' ' LYS . 8.1 t-160 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.761 ' HG3' ' CD2' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 41.7 m80 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.802 ' HD3' HD11 ' A' ' 6' ' ' LEU . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 14' ' ' CYS . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 13' ' ' VAL . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.672 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.6 t60 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 32' ' ' SER . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.2 m-70 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' HD11 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 12.7 t60 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 35' ' ' CYS . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.696 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.9 m-70 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.715 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.045 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.45 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG11 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.422 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 19.4 t60 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.675 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.675 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.539 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.5 m-70 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HE3' HG11 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 30' ' ' LEU . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 14' ' ' CYS . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.456 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 5.6 t60 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.536 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.7 m-70 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' HE3' HG13 ' A' ' 13' ' ' VAL . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 1.01 ' HD3' HD11 ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.491 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.825 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.482 ' HB3' ' HD1' ' A' ' 38' ' ' TRP . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.482 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.64 0.257 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HG2' HG22 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.65 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG13 ' NE1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.58 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 32' ' ' SER . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 31' ' ' ILE . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.655 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.2 m-70 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.655 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.555 HG22 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 1.07 ' HG2' HG22 ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.878 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.699 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.647 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.753 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.4 t60 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.618 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 84.4 m-70 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.587 ' HE3' HG22 ' A' ' 13' ' ' VAL . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.878 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.723 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.07 HG22 ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.939 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.989 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 11.0 t60 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 90.2 m-70 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.989 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.939 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 1.019 ' HG2' HG22 ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' CYS . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 89.0 m-70 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.462 ' HE3' HG13 ' A' ' 13' ' ' VAL . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HD2' HD22 ' A' ' 6' ' ' LEU . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 1.019 HG22 ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.119 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.644 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t60 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.603 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.2 m-70 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 1.119 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.69 HD12 ' HD2' ' A' ' 39' ' ' LYS . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 6' ' ' LEU . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.501 HG13 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.62 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.799 ' NE2' ' HB3' ' A' ' 7' ' ' ALA . 18.0 t60 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.627 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 92.9 m-70 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' HIS . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.69 ' HD2' HD12 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.699 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG13 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.655 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.8 t60 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' HG13 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 6' ' ' LEU . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.699 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.615 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 38' ' ' TRP . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.6 t60 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' CYS . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.675 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 93.3 m-70 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.502 ' HB3' HG13 ' A' ' 13' ' ' VAL . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.682 ' HD3' HD11 ' A' ' 6' ' ' LEU . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.518 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.914 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG22 ' CE3' ' A' ' 38' ' ' TRP . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.914 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 32' ' ' SER . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.626 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 0.1 OUTLIER 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' HG22 ' A' ' 13' ' ' VAL . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.626 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.588 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' NE1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.583 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.626 HD11 HG23 ' A' ' 43' ' ' THR . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.6 m-70 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.584 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.615 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.626 HG23 HD11 ' A' ' 31' ' ' ILE . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 40' ' ' CYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HE1' ' HB ' ' A' ' 13' ' ' VAL . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.69 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t60 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.635 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 32' ' ' SER . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.9 m-70 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.495 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.651 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' HE1' ' A' ' 5' ' ' HIS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.459 ' HE1' ' HB2' ' A' ' 3' ' ' CYS . 41.0 m80 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 38' ' ' TRP . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.705 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 15.9 t60 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.705 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 43' ' ' THR . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.629 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.2 m-70 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.561 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.729 ' O ' HD12 ' A' ' 6' ' ' LEU . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.629 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' HD22 ' A' ' 30' ' ' LEU . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 32' ' ' SER . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 6' ' ' LEU . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 14.2 t60 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.684 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' GLY . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.684 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 36' ' ' HIS . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.663 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' LEU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.428 ' C ' HD23 ' A' ' 30' ' ' LEU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG22 ' HD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.671 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.2 t60 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 32' ' ' SER . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.523 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 89.1 m-70 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.864 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 36' ' ' HIS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.802 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.698 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.57 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.581 HG13 ' NE1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t60 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.739 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.8 m-70 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.802 ' HD3' HD11 ' A' ' 6' ' ' LEU . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.24 0.067 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.5 p -132.43 144.19 50.32 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.776 0.322 . . . . 0.0 110.299 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.69 134.83 54.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.079 0.466 . . . . 0.0 111.509 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.19 148.13 30.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.653 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -133.26 141.05 47.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.567 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -91.38 125.89 36.28 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.016 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -81.13 128.5 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -76.33 -10.64 59.56 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.573 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.6 m -107.41 63.34 0.62 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.323 0.582 . . . . 0.0 110.231 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.675 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.9 t80 -107.2 -169.05 1.48 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.036 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 78.1 mtt180 -106.95 27.36 9.05 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.528 -0.733 . . . . 0.0 111.447 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 -87.52 1.23 Allowed Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.752 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 14' ' ' CYS . 49.0 t -92.46 160.64 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' N ' HG12 ' A' ' 13' ' ' VAL . 15.8 t -118.46 143.48 46.67 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.169 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -118.56 -46.07 2.59 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.493 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.8 p -136.21 151.16 49.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.742 0.306 . . . . 0.0 111.16 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -49.6 -26.35 3.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.14 -26.52 65.82 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 t -58.89 -44.48 91.2 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -74.56 -42.58 58.52 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.73 -64.22 0.88 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.519 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -51.43 -54.09 30.3 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.96 0.886 . . . . 0.0 109.2 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.672 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.6 t60 -47.79 -60.94 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.88 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.563 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -52.63 -58.84 5.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.277 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -48.88 -44.3 39.81 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -79.44 -39.72 31.61 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.672 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.7 mmtt -78.77 -54.99 5.51 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -127.82 85.21 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -38.63 72.03 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.43 1.492 . . . . 0.0 113.679 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -115.82 -173.34 2.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.8 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 32' ' ' SER . 38.5 pt -73.05 -51.17 27.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.451 ' N ' HG13 ' A' ' 31' ' ' ILE . 73.5 m -157.86 166.12 33.5 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.563 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -157.15 134.01 3.81 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.115 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -119.3 173.7 6.79 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.141 0.496 . . . . 0.0 112.147 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 94.2 m -92.33 128.06 38.04 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.284 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.2 m-70 -128.43 121.14 28.31 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.824 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 52.26 37.94 23.41 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 67.3 m95 74.41 5.87 4.58 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.753 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.0 mttt -109.73 166.87 10.58 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 122.378 0.271 . . . . 0.0 110.617 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.675 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 52.3 m -111.84 129.25 56.21 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -120.39 138.79 53.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.658 177.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.7 m -106.21 163.57 12.7 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.432 ' CG2' HD11 ' A' ' 31' ' ' ILE . 69.4 m -106.51 119.83 40.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.678 0.275 . . . . 0.0 110.955 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -134.04 129.09 35.57 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.331 0.586 . . . . 0.0 111.491 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -75.73 133.42 40.75 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.046 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.626 -0.702 . . . . 0.0 111.6 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.478 0.18 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.7 p -128.61 164.11 23.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.775 0.321 . . . . 0.0 110.639 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -112.73 127.21 56.08 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.334 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 92.4 mt-10 -113.33 136.28 52.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.299 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -140.51 138.3 34.48 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.155 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.7 tt -84.52 129.0 34.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.675 179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.96 122.41 31.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -12.64 61.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.04 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.434 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 39.6 m -105.95 60.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.357 0.598 . . . . 0.0 109.981 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.66 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 20.3 t80 -106.22 -164.66 1.03 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.188 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 23.4 mtm180 -108.35 -150.29 0.45 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.834 -0.541 . . . . 0.0 110.457 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.87 -112.9 0.49 Allowed Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.894 -0.67 . . . . 0.0 113.11 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -85.74 152.95 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.881 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.4 t -103.33 138.9 39.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.936 0.398 . . . . 0.0 111.645 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -121.82 -40.95 2.49 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.455 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.1 p -129.93 147.59 51.7 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.858 0.361 . . . . 0.0 111.746 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -53.9 -19.59 4.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.59 -30.95 71.75 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.9 p -52.12 -65.56 0.54 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.616 0.246 . . . . 0.0 111.091 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -54.4 -43.83 71.81 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -53.84 -68.92 0.14 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 121.258 -0.177 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -47.12 -55.83 7.67 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.8 0.81 . . . . 0.0 108.951 177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 12.7 t60 -45.09 -59.15 2.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 113.925 -1.489 . . . . 0.0 110.312 177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.579 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 46.2 m -56.66 -52.37 65.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.797 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 68.6 mttm -57.36 -41.25 79.75 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -85.91 -36.04 20.15 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.8 mmtt -80.75 -53.19 6.72 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -128.97 82.53 2.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.485 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -27.35 75.74 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.568 1.547 . . . . 0.0 114.009 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.39 178.72 4.68 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.359 -1.291 . . . . 0.0 111.53 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 24.0 pt -75.51 -47.01 35.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.806 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.5 p -160.61 165.53 30.52 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.579 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.07 141.55 8.09 Favored Glycine 0 C--N 1.335 0.525 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.607 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 35' ' ' CYS . 78.3 m -124.78 161.94 25.37 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 85.6 m -82.85 125.06 30.91 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.154 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.696 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 98.9 m-70 -128.48 123.81 34.56 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 53.32 33.77 16.39 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 65.7 m95 75.72 5.84 3.93 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.691 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.715 ' HD3' HD11 ' A' ' 6' ' ' LEU . 94.8 mttt -109.28 176.02 5.24 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.6 m -118.06 132.04 56.4 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.696 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.7 OUTLIER -119.04 130.45 55.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.402 178.73 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.2 m -107.8 137.88 45.03 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -107.59 134.06 51.15 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.544 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -131.31 142.7 50.15 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.278 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -65.68 132.2 48.2 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.971 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.805 -0.617 . . . . 0.0 112.079 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.315 0.103 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -143.47 159.64 42.03 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 76.5 m -109.65 126.56 53.78 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.351 -179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -111.37 138.47 47.82 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.256 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -145.79 144.36 30.25 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.499 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.045 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.0 tt -87.11 130.83 34.35 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.619 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.62 125.26 35.58 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.27 -10.31 57.23 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.428 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.45 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 37.3 m -105.62 56.79 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.671 . . . . 0.0 110.237 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' HA ' ' CE1' ' A' ' 23' ' ' HIS . 21.7 t80 -108.01 153.99 22.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.724 -1.126 . . . . 0.0 109.439 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -110.83 122.88 48.95 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.01 -167.46 4.44 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.696 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG11 ' HE3' ' A' ' 38' ' ' TRP . 58.6 t -92.47 154.39 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.404 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.4 t -92.23 138.11 31.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 120.587 -0.445 . . . . 0.0 112.074 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.39 -34.99 3.89 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.2 p -129.85 145.19 51.59 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.692 0.282 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.16 -37.6 3.23 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.45 -23.69 64.63 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.2 t -63.25 -42.85 99.23 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 93.6 m -80.89 -39.98 25.47 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.422 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 58.0 t0 -51.11 -68.07 0.2 Allowed 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -47.71 -54.78 11.11 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.65 0.738 . . . . 0.0 109.307 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 19.4 t60 -46.48 -60.61 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.161 178.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.675 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 32.6 m -54.65 -54.72 37.95 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 91.6 mttt -56.51 -41.28 76.45 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -84.93 -34.24 22.53 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.7 mmtt -84.0 -51.31 7.23 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.81 83.67 2.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -27.51 74.02 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.639 1.576 . . . . 0.0 113.58 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.6 mp -121.59 -175.83 3.18 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.706 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 32' ' ' SER . 31.1 pt -84.77 -46.49 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.443 ' N ' HG13 ' A' ' 31' ' ' ILE . 40.7 t -145.84 158.04 43.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.675 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.82 109.43 0.52 Allowed Glycine 0 C--N 1.338 0.678 0 CA-C-N 115.212 -0.903 . . . . 0.0 112.09 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -103.15 158.37 16.36 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.233 0.539 . . . . 0.0 111.635 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.861 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 66.9 m -92.35 138.57 31.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.539 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.5 m-70 -129.53 117.61 20.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.734 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 62.63 -76.11 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.412 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.436 ' HE3' HG11 ' A' ' 13' ' ' VAL . 8.6 m95 -152.85 20.73 0.59 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.061 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 1.045 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.7 mttt -134.09 179.93 5.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 46.7 m -116.52 125.55 52.07 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' CG ' ' HD2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -116.02 132.92 56.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 30' ' ' LEU . 61.2 m -107.59 142.49 37.43 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.2 t -108.57 131.3 55.0 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.886 0.374 . . . . 0.0 110.621 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -129.14 144.25 51.14 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.216 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.94 133.91 56.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.197 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.0 p . . . . . 0 C--O 1.249 1.027 0 CA-C-O 117.939 -1.029 . . . . 0.0 111.354 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 t -142.67 165.74 26.55 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.376 0.608 . . . . 0.0 111.784 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 p -131.25 136.81 48.53 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 53.6 mt-10 -109.48 148.2 31.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.033 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -142.62 141.33 31.92 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.29 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.01 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -87.86 124.36 33.57 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -84.32 125.53 32.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.972 0.415 . . . . 0.0 112.103 -179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -72.13 -7.62 50.1 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.431 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.488 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 8.8 t -106.32 58.44 0.65 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.253 0.549 . . . . 0.0 110.148 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.736 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.9 t80 -107.98 -168.05 1.32 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.069 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 58.7 mtm180 -107.52 36.22 2.8 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.893 -0.505 . . . . 0.0 110.794 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.95 -101.72 1.6 Allowed Glycine 0 C--N 1.337 0.614 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.69 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 14' ' ' CYS . 58.7 t -91.24 160.72 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.152 0.501 . . . . 0.0 112.271 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.0 t -111.79 150.53 30.18 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.459 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -124.49 -42.66 2.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.611 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.3 p -132.8 145.5 51.04 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.079 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -44.57 -38.97 4.58 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.923 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -29.87 64.13 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -55.34 -35.16 64.91 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 91.3 m -86.97 -43.31 12.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.456 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 28.5 t70 -52.24 -63.93 0.98 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.221 0.326 . . . . 0.0 110.462 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -50.87 -53.02 35.98 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.82 0.819 . . . . 0.0 108.795 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 5.6 t60 -48.44 -62.22 1.61 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.179 -1.373 . . . . 0.0 110.838 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.536 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -54.01 -52.67 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.785 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 68.5 mttm -56.87 -42.98 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -79.94 -41.92 25.05 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.2 mmtp -75.66 -55.74 5.36 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -127.25 81.74 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.688 -0.233 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -28.24 76.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.267 1.427 . . . . 0.0 113.884 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -117.3 179.49 4.02 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.888 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 25.7 pt -74.53 -46.44 42.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.254 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 t -154.95 173.16 16.93 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -165.94 119.29 0.85 Allowed Glycine 0 C--N 1.337 0.634 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.52 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.4 t -107.21 171.96 7.09 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.166 0.507 . . . . 0.0 111.821 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 72.2 m -96.5 132.24 42.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.367 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.7 m-70 -120.59 118.87 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.512 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.22 -76.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.781 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' HE3' HG13 ' A' ' 13' ' ' VAL . 70.6 m95 -148.83 13.18 0.9 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.353 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 1.01 ' HD3' HD11 ' A' ' 6' ' ' LEU . 97.4 mttt -131.36 -178.05 4.67 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.736 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 63.8 m -115.63 134.15 55.33 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -122.49 133.65 54.59 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.4 m -107.13 144.79 33.33 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.406 -178.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 t -108.25 134.82 50.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.49 . . . . 0.0 111.562 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -139.48 144.5 38.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -65.01 121.89 15.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.041 -0.98 . . . . 0.0 111.124 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 pttp . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 120.34 0.114 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p -128.6 150.2 50.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 0.0 110.675 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.2 m -117.26 141.05 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.019 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -110.97 139.54 46.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.732 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -141.32 142.64 33.81 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.262 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.4 tm? -90.58 122.81 33.71 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.983 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -81.39 129.44 34.63 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.62 33.83 0.43 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.491 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -117.61 -37.44 3.47 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.092 0.473 . . . . 0.0 110.715 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 27.6 t80 -130.37 114.18 15.26 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.598 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 6' ' ' LEU . 86.2 mtm180 -147.93 96.55 2.67 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.74 -173.93 13.45 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.431 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.05 122.87 21.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.3 t -89.01 143.74 26.64 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.862 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -123.79 -40.99 2.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.225 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.1 p -131.25 153.14 49.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.215 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -58.71 -22.96 58.78 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.76 -16.79 62.78 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 91.8 p -67.3 -52.16 43.9 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 84.8 m -71.69 -41.59 68.44 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.168 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.43 -57.43 8.02 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 9.2 t70 -52.49 -51.84 57.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.283 -0.871 . . . . 0.0 108.873 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.825 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 13.2 t60 -45.71 -56.8 4.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.759 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 68.5 m -57.32 -49.55 75.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.301 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 22' ' ' ASP . 65.8 pttt -63.13 -38.06 89.69 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -90.83 -28.86 17.91 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.591 ' HG3' ' HD1' ' A' ' 23' ' ' HIS . 48.1 mmtm -95.78 -50.71 4.8 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.21 84.72 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.112 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.9 t-80 -38.03 70.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 0.0 113.904 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.6 mm? -109.28 -167.31 1.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.91 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.1 pt -83.58 -46.63 18.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.6 m -159.07 148.38 18.68 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 111.855 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.584 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -129.95 136.11 8.74 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 120.982 -0.627 . . . . 0.0 113.708 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 t -124.59 166.54 15.91 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 121.021 0.439 . . . . 0.0 111.944 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 96.5 m -93.08 129.78 38.92 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 83.6 m-70 -110.04 76.36 0.99 Allowed 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.482 ' HB3' ' HD1' ' A' ' 38' ' ' TRP . 74.1 m-80 75.03 -76.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.792 -178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.482 ' HD1' ' HB3' ' A' ' 37' ' ' ASN . 13.4 m95 -135.97 10.52 3.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.575 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 61.8 mttp -124.69 150.53 46.04 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 122.094 -0.379 . . . . 0.0 111.086 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 55.8 m -106.09 112.93 26.17 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.463 0.649 . . . . 0.0 112.418 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 1.1 m-85 -109.14 152.62 24.87 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.506 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.6 m -112.34 165.35 12.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.4 p -107.54 136.05 47.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.095 0.474 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -144.43 146.46 32.48 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.767 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -67.46 139.09 57.04 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.196 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.096 -179.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 46' ' ' CYS . 21.7 pttm . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.482 0.182 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.8 p -137.78 154.36 49.58 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.18 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.501 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 77.2 m -112.24 150.46 30.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.88 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HG2' HG22 ' A' ' 43' ' ' THR . 92.4 mt-10 -108.91 125.09 51.64 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.241 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -140.29 132.76 28.55 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 111.777 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.9 tt -75.54 129.06 36.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.026 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.64 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.51 127.28 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.064 0.459 . . . . 0.0 111.949 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.79 -6.44 58.53 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.419 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 10.1 t -107.14 54.26 0.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.619 0.723 . . . . 0.0 110.1 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 18.7 t80 -106.36 -163.74 0.95 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.377 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 76.8 mtt180 -107.56 -149.7 0.44 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 122.548 0.339 . . . . 0.0 110.619 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.61 -96.94 1.29 Allowed Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.691 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG13 ' NE1' ' A' ' 38' ' ' TRP . 49.0 t -91.46 142.41 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.68 149.33 25.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.929 0.395 . . . . 0.0 111.377 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -124.78 -48.74 1.77 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.849 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.3 p -124.62 145.47 49.61 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.715 0.293 . . . . 0.0 111.635 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -40.55 -37.31 0.69 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.241 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.85 -29.39 40.94 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.0 m -50.93 -47.44 61.0 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.6 m -77.94 -42.31 33.39 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -50.81 -67.6 0.24 Allowed 'General case' 0 CA--C 1.537 0.452 0 O-C-N 123.389 0.43 . . . . 0.0 110.896 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -48.24 -60.43 2.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.58 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 1.6 t60 -38.62 -65.87 0.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.099 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 36.0 m -58.27 -46.37 86.15 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -56.23 -41.78 76.22 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -86.79 -36.17 18.71 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.1 mmtp -77.7 -59.37 2.81 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -131.4 85.61 2.28 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.156 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -29.41 75.18 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 114.162 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -105.92 -175.72 2.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.575 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 32' ' ' SER . 24.2 pt -85.25 -45.62 17.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' N ' HG13 ' A' ' 31' ' ' ILE . 56.7 m -150.99 172.13 16.2 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.655 ' HA3' ' SG ' ' A' ' 42' ' ' CYS . . . -159.4 131.55 2.76 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 121.077 -0.582 . . . . 0.0 113.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.5 m -124.26 146.11 48.95 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.808 0.337 . . . . 0.0 111.708 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.8 m -81.84 132.4 35.28 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.635 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.2 m-70 -131.58 105.49 7.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.421 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 48.4 59.85 4.04 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.949 0.404 . . . . 0.0 111.025 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 64.27 16.29 10.0 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.297 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.1 mttt -124.48 159.88 29.52 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 122.133 -0.354 . . . . 0.0 111.049 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.571 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.3 m -115.16 117.6 30.97 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -114.35 107.32 15.4 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.403 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.655 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 97.5 m -108.67 163.75 12.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.97 0.414 . . . . 0.0 111.668 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.555 HG22 ' HG2' ' A' ' 4' ' ' GLU . 28.1 p -107.01 139.53 41.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.349 0.595 . . . . 0.0 111.696 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -134.41 148.93 50.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.2 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -58.63 137.43 57.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.3 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.551 -0.737 . . . . 0.0 111.557 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.8 pttm . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 120.457 0.17 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.0 p -144.35 159.62 42.4 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.791 0.329 . . . . 0.0 111.168 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 89.0 m -110.6 134.32 52.52 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.07 ' HG2' HG22 ' A' ' 43' ' ' THR . 54.8 mt-10 -110.36 130.14 55.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.013 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -135.34 133.46 38.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.878 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.2 tt -86.89 133.56 33.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.699 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -86.77 112.94 22.18 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.206 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.01 -23.01 67.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.921 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -105.7 70.96 0.89 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.369 0.604 . . . . 0.0 110.081 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.647 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 18.7 t80 -107.83 -169.4 1.52 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.876 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 61.3 mtt180 -106.95 34.86 3.24 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.87 -0.519 . . . . 0.0 110.916 -178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -112.24 3.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.241 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.753 ' HB ' ' CE1' ' A' ' 15' ' ' PHE . 62.8 t -75.48 148.76 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.689 0.28 . . . . 0.0 110.966 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 42.7 t -76.91 -45.67 27.11 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.753 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 56.1 m-85 73.31 -59.03 0.58 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.11 0.564 . . . . 0.0 112.145 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.0 p -147.42 146.27 29.52 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -44.87 -42.12 7.71 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.438 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.67 56.82 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.347 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -58.21 -34.03 69.94 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 86.9 m -82.91 -43.1 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' HE3' ' A' ' 25' ' ' LYS . 7.4 t70 -49.05 -67.89 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 117.659 0.208 . . . . 0.0 110.708 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.53 -58.57 2.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.802 0.811 . . . . 0.0 109.152 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.664 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.4 t60 -46.14 -56.66 5.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.51 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 57.7 m -55.54 -53.58 54.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.527 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE3' ' OD2' ' A' ' 21' ' ' ASP . 96.5 mttt -58.69 -39.19 80.03 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -88.47 -30.4 19.43 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.664 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 72.7 mmtt -88.37 -55.28 3.8 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.33 85.19 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' O ' HD12 ' A' ' 30' ' ' LEU . 83.1 t60 -25.86 73.11 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.152 1.781 . . . . 0.0 113.99 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.9 mp -125.76 -177.81 4.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.273 -1.33 . . . . 0.0 111.131 178.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 32' ' ' SER . 24.3 pt -79.16 -49.29 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' HG13 ' A' ' 31' ' ' ILE . 57.8 m -161.19 -176.66 5.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.64 153.25 24.56 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.076 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.3 m -125.85 150.3 47.97 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.99 126.7 29.4 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.511 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.618 ' HB2' ' CD1' ' A' ' 41' ' ' PHE . 84.4 m-70 -146.39 126.91 14.14 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.426 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 47.7 39.5 10.26 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.902 0.382 . . . . 0.0 110.95 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.587 ' HE3' HG22 ' A' ' 13' ' ' VAL . 17.5 m95 66.38 14.33 9.65 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.465 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.878 ' HD3' HD11 ' A' ' 6' ' ' LEU . 55.8 mttp -119.5 -172.73 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 122.655 0.382 . . . . 0.0 111.436 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 22.4 m -124.39 121.75 35.77 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.723 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -108.95 130.7 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.396 -0.82 . . . . 0.0 108.846 178.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.3 m -107.64 143.18 36.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.07 HG22 ' HG2' ' A' ' 4' ' ' GLU . 61.6 p -107.98 137.01 46.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.059 0.457 . . . . 0.0 111.938 -178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.72 142.58 45.06 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.554 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -59.95 140.47 56.7 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.7 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.789 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.9 mttp . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 121.03 0.443 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 p -155.4 163.74 39.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.168 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.5 m -109.6 129.52 55.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.338 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.939 ' HG2' HG22 ' A' ' 43' ' ' THR . 95.1 mt-10 -111.45 135.47 51.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.966 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -140.47 138.3 34.54 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.933 0.397 . . . . 0.0 111.745 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.989 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.8 tt -90.55 123.25 34.06 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.15 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -83.74 122.05 28.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.202 0.525 . . . . 0.0 112.375 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -70.85 -8.79 55.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.559 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.8 m -105.6 56.39 0.68 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.738 0.78 . . . . 0.0 109.885 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 50.8 t80 -108.61 173.63 6.23 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.668 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.4 ptp180 -107.41 99.47 8.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 47.01 -135.97 10.6 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 115.672 -0.695 . . . . 0.0 114.126 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.6 t -91.26 156.8 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 111.702 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.6 t -97.18 140.8 31.14 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.232 0.539 . . . . 0.0 111.99 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.9 m-85 -118.52 -37.7 3.26 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.963 179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 p -127.19 133.82 50.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.993 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -41.03 -43.46 2.17 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.34 -27.52 6.39 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 t -58.01 -49.78 75.66 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.601 0.238 . . . . 0.0 111.403 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.1 m -70.48 -43.64 69.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.897 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.02 -68.79 0.14 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -46.81 -48.71 20.74 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 122.091 0.948 . . . . 0.0 109.363 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 11.0 t60 -54.24 -66.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.847 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 65.1 m -53.51 -50.19 65.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.384 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -51.13 -44.08 61.31 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.762 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -88.51 -38.24 15.11 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 45.9 mmtm -75.68 -51.85 11.83 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -130.16 81.01 1.98 Allowed 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 121.361 -0.135 . . . . 0.0 110.775 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -29.45 76.0 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.463 1.505 . . . . 0.0 113.362 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.0 mp -119.95 -178.21 3.59 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.391 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 pt -75.17 -44.68 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.656 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -156.72 159.78 38.67 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -143.51 119.95 1.42 Allowed Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.926 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.2 m -108.78 159.07 17.06 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 112.089 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.0 m -88.13 141.28 28.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.162 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 90.2 m-70 -134.31 112.83 11.34 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 38' ' ' TRP . 5.3 m120 60.5 -74.87 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.277 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' HIS . 4.2 m95 -145.35 10.59 1.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.798 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.989 ' HD3' HD11 ' A' ' 6' ' ' LEU . 63.9 mttp -131.71 -176.84 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.463 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 40.7 m -121.5 126.24 48.76 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.512 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -112.04 135.5 52.6 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' HB3' HD22 ' A' ' 30' ' ' LEU . 56.8 m -106.84 142.51 36.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.09 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.939 HG22 ' HG2' ' A' ' 4' ' ' GLU . 39.8 p -107.83 128.36 54.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.948 0.404 . . . . 0.0 111.487 -178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.3 tt0 -126.87 145.55 50.61 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.927 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -68.9 130.34 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.444 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.0 p . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 120.259 0.076 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -145.67 169.76 17.81 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.153 0.502 . . . . 0.0 111.531 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 71.1 m -119.37 129.7 54.96 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.084 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.019 ' HG2' HG22 ' A' ' 43' ' ' THR . 47.4 mt-10 -112.1 136.23 51.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -146.89 144.27 29.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.787 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 39' ' ' LYS . 22.0 tp -75.78 133.0 40.8 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.986 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.43 125.58 35.22 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -76.79 -10.38 59.34 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -108.07 57.8 0.62 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.344 0.593 . . . . 0.0 110.12 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.3 t80 -107.45 -172.78 2.14 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.92 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 47.3 mtp180 -107.4 30.97 5.76 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.897 -0.502 . . . . 0.0 110.85 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.68 -101.62 2.28 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.453 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 14' ' ' CYS . 60.6 t -91.35 160.18 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' N ' HG12 ' A' ' 13' ' ' VAL . 34.8 t -112.16 151.37 29.58 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.855 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -124.6 -44.19 1.99 Allowed 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.211 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -131.26 142.63 50.17 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -40.11 -45.58 2.01 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.93 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.81 -30.17 9.24 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.3 t -52.64 -55.31 23.34 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.344 0.116 . . . . 0.0 111.166 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 81.2 m -67.54 -46.07 73.84 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -45.42 -72.49 0.06 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.655 0.264 . . . . 0.0 110.547 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -46.8 -54.7 9.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.951 0.881 . . . . 0.0 109.378 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.641 ' CD2' ' CD1' ' A' ' 10' ' ' TYR . 1.6 t60 -46.32 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 113.954 -1.475 . . . . 0.0 112.066 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 43.8 m -52.76 -48.66 66.62 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -59.26 -42.77 91.94 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -82.89 -38.66 22.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.3 mmtp -78.99 -54.38 6.08 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.096 0.407 . . . . 0.0 112.047 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.678 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -123.79 82.6 2.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.461 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -28.12 76.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.545 1.538 . . . . 0.0 113.345 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' O ' ' A' ' 28' ' ' ALA . 7.9 mp -121.19 -174.61 2.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.179 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 24.9 pt -81.39 -49.29 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.2 m -150.81 163.48 38.52 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.22 127.54 2.8 Favored Glycine 0 C--N 1.335 0.526 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.71 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -119.94 153.75 35.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.646 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.804 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 76.7 m -84.28 136.59 33.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.468 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 89.0 m-70 -128.73 114.58 16.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.485 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.28 -75.34 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.505 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.462 ' HE3' HG13 ' A' ' 13' ' ' VAL . 32.7 m95 -147.88 6.11 0.79 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HD2' HD22 ' A' ' 6' ' ' LEU . 53.2 pttt -131.55 178.94 6.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.649 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 59.2 m -113.07 131.69 55.7 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HE1' ' HG3' ' A' ' 39' ' ' LYS . 1.0 OUTLIER -113.93 133.0 55.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.153 176.249 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 66.2 m -107.15 142.24 37.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.019 HG22 ' HG2' ' A' ' 4' ' ' GLU . 80.9 p -107.24 128.79 54.74 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -125.82 138.06 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.88 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -59.99 115.28 3.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.11 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 29.3 p . . . . . 0 C--O 1.252 1.237 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.474 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.308 0.099 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.2 p -128.84 139.56 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.788 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 p -113.07 133.81 54.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -109.34 159.22 17.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -146.29 144.11 29.61 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.327 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.119 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -84.2 133.24 34.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.136 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.644 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.14 124.13 34.05 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -73.94 -1.41 19.6 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.5 p -107.87 48.27 0.86 Allowed 'General case' 0 C--O 1.242 0.659 0 CA-C-O 121.663 0.744 . . . . 0.0 109.319 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.72 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 22.7 t80 -107.08 -168.36 1.39 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 114.603 -1.18 . . . . 0.0 109.481 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 40.8 mtp180 -106.73 -150.46 0.44 Allowed 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.04 -112.22 0.32 Allowed Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.844 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.4 t -91.81 144.49 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 41.8 t -96.73 151.24 19.83 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 120.969 0.414 . . . . 0.0 111.954 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -128.17 -45.17 1.4 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.455 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -117.81 135.92 53.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.481 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -39.45 -46.58 1.7 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.631 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.0 -31.62 0.95 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 67.0 m -51.09 -42.51 60.67 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 78.6 m -87.02 -44.54 11.5 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -43.5 -66.95 0.32 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.527 0.517 . . . . 0.0 110.31 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.14 -57.96 8.03 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.786 0.803 . . . . 0.0 109.642 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.603 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 8.4 t60 -43.52 -64.99 0.55 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 113.836 -1.529 . . . . 0.0 112.03 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 14.7 m -49.9 -53.71 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -59.11 -43.1 91.88 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -81.6 -33.71 31.37 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.603 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 35.2 mmtp -86.83 -48.82 7.88 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -125.65 81.73 2.0 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -29.26 71.93 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.554 1.542 . . . . 0.0 113.728 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -123.06 -178.41 3.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.08 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 32' ' ' SER . 35.8 pt -71.18 -50.55 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.685 0.995 . . . . 0.0 113.685 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 31' ' ' ILE . 68.0 m -153.31 172.27 17.29 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -148.82 136.86 6.04 Favored Glycine 0 C--N 1.341 0.817 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.478 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.1 m -123.9 151.55 43.4 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 117.213 0.506 . . . . 0.0 111.946 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.832 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 93.9 m -84.51 136.62 33.74 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HD2' ' CG ' ' A' ' 41' ' ' PHE . 88.2 m-70 -130.82 132.27 45.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.008 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 46.92 -78.26 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.456 0.702 . . . . 0.0 112.423 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' ' 36' ' ' HIS . 2.6 m95 -147.97 30.6 0.87 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 1.119 ' HD3' HD11 ' A' ' 6' ' ' LEU . 99.1 mttt -148.64 -177.09 5.59 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.72 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 17.8 m -120.85 129.94 53.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.524 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -117.67 138.19 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.067 178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -107.29 159.07 16.64 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -107.08 125.25 50.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.982 -178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.61 135.8 47.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.186 0.517 . . . . 0.0 111.893 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.55 130.15 39.95 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.692 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.247 0.963 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.327 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 120.405 0.145 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -137.38 164.99 27.3 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.793 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -116.11 131.38 56.96 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 111.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -118.01 139.09 51.69 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.179 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -145.25 150.25 36.35 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.524 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.69 HD12 ' HD2' ' A' ' 39' ' ' LYS . 5.4 tt -85.82 132.23 34.15 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.984 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -85.95 117.97 25.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.476 -179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -77.9 58.71 1.96 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 111.737 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.3 p -145.11 -43.19 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.434 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 36.0 t80 -119.09 109.43 15.89 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 6' ' ' LEU . 81.9 mtm180 -148.06 111.29 4.9 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.965 0.412 . . . . 0.0 112.075 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.23 -152.94 6.82 Favored Glycine 0 C--N 1.334 0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.171 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.501 HG13 ' CE3' ' A' ' 38' ' ' TRP . 44.0 t -89.83 110.39 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.598 0.199 . . . . 0.0 110.646 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 19' ' ' SER . 42.2 t -95.36 138.46 33.02 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.868 0.366 . . . . 0.0 111.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -116.37 -43.16 2.96 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.159 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.9 p -114.24 146.28 40.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.086 0.47 . . . . 0.0 111.095 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -50.11 -33.64 19.41 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.63 -25.68 60.48 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.62 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 69.4 m -54.33 -52.75 60.57 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.5 m -78.82 -39.51 35.35 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.51 -59.69 3.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.22 -49.81 60.36 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.799 ' NE2' ' HB3' ' A' ' 7' ' ' ALA . 18.0 t60 -51.66 -61.92 1.95 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.679 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 60.1 m -56.25 -39.06 71.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.448 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -66.66 -41.5 88.06 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -90.22 -28.57 18.76 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' C ' ' HD3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -81.08 -56.22 4.24 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.934 0.397 . . . . 0.0 110.535 -179.41 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -140.58 89.63 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.055 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -39.09 69.99 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.285 1.434 . . . . 0.0 113.839 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -102.87 -173.3 2.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.757 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.7 pt -68.25 -47.76 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t -161.86 161.37 28.91 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -140.68 120.98 1.84 Allowed Glycine 0 C--N 1.339 0.714 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.725 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.0 t -110.39 166.04 11.3 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 111.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 89.9 m -99.56 121.68 41.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.844 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 38' ' ' TRP . 92.9 m-70 -96.65 -155.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 39' ' ' LYS . 4.8 m120 -56.97 78.21 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.861 0.362 . . . . 0.0 110.767 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' HIS . 52.5 m95 54.23 48.97 19.64 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.842 0.857 . . . . 0.0 112.186 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.69 ' HD2' HD12 ' A' ' 6' ' ' LEU . 24.3 pttm -162.71 159.33 24.18 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 23' ' ' HIS . 65.4 m -109.0 124.95 51.52 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE1' ' HB2' ' A' ' 6' ' ' LEU . 2.9 m-85 -119.12 146.01 45.48 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.932 176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 70.9 m -109.12 157.98 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.9 p -108.38 128.79 55.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.916 0.388 . . . . 0.0 111.99 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -137.26 151.38 48.64 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.494 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.25 131.97 35.77 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.781 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.177 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -147.45 170.6 17.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.86 0.362 . . . . 0.0 111.089 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -113.6 135.56 53.78 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.283 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.699 ' HG2' HG22 ' A' ' 43' ' ' THR . 55.6 mt-10 -111.1 136.43 50.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.034 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -139.44 131.86 28.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.782 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 40' ' ' CYS . 40.9 tp -81.98 123.52 28.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.919 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 126.53 32.82 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -82.63 -6.59 59.45 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.617 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 74.4 p -107.62 60.26 0.62 Allowed 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.423 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 17.7 t80 -107.33 -166.64 1.18 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.653 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 71.8 mtt180 -107.26 27.97 8.54 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.016 -0.428 . . . . 0.0 110.95 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.47 -96.24 1.25 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.761 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG13 ' CE3' ' A' ' 38' ' ' TRP . 61.5 t -87.9 148.34 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 121.025 0.44 . . . . 0.0 112.119 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.1 t -109.89 150.39 28.5 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.566 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -119.77 -42.22 2.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.358 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p -138.11 154.8 49.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.0 -34.21 59.23 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.53 58.4 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 90.1 p -52.99 -60.56 3.13 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.683 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 85.5 m -60.63 -39.85 89.77 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.507 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 62.6 t0 -53.27 -69.34 0.12 Allowed 'General case' 0 C--O 1.239 0.518 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.3 -56.67 5.46 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 122.03 0.919 . . . . 0.0 109.141 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.655 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 4.8 t60 -44.39 -60.52 1.9 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.965 178.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.613 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 52.8 m -54.14 -53.59 51.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' OD1' ' A' ' 21' ' ' ASP . 67.4 mttm -56.2 -44.04 79.1 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.0 -35.61 28.73 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 33.6 mmtp -85.06 -52.1 6.2 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.613 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.64 82.7 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.444 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -28.63 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.683 1.593 . . . . 0.0 113.601 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 28' ' ' ALA . 9.7 mp -122.37 -177.77 3.71 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.442 -1.254 . . . . 0.0 111.177 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 32' ' ' SER . 27.5 pt -75.63 -52.02 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.501 ' N ' HG13 ' A' ' 31' ' ' ILE . 50.1 m -151.47 -179.82 7.72 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.613 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -152.56 152.62 24.28 Favored Glycine 0 C--N 1.342 0.881 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.283 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.402 ' OG1' ' NE2' ' A' ' 36' ' ' HIS . 72.8 p -130.06 153.2 48.69 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.763 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.1 m -94.82 87.06 4.88 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.824 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 96.5 m-70 -86.15 119.92 26.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.749 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 67.12 -78.95 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.445 ' CE3' HG13 ' A' ' 13' ' ' VAL . 98.2 m95 -158.38 26.89 0.24 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.713 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' HD11 ' A' ' 6' ' ' LEU . 66.4 mttm -131.04 -172.59 2.87 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 111.165 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' O ' HD12 ' A' ' 6' ' ' LEU . 31.0 m -126.75 119.28 26.52 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -108.9 132.97 53.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 177.712 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HB3' HD22 ' A' ' 30' ' ' LEU . 60.7 m -107.66 143.12 36.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.1 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.699 HG22 ' HG2' ' A' ' 4' ' ' GLU . 76.5 p -107.71 126.47 52.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.749 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HB2' HD21 ' A' ' 30' ' ' LEU . 42.1 tt0 -122.67 148.98 44.65 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.653 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -70.99 129.15 38.26 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.325 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.4 p . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.879 -1.058 . . . . 0.0 111.468 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 120.237 0.065 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.3 p -118.66 161.73 19.6 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.61 0.243 . . . . 0.0 110.364 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.83 128.8 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.624 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -111.89 143.72 42.39 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.693 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -142.13 144.52 33.53 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.716 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.1 tt -89.32 132.58 34.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -85.54 117.17 24.28 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.346 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.42 -8.8 53.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.209 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 50.6 p -107.92 58.75 0.62 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.251 0.548 . . . . 0.0 110.198 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CD1' ' CD2' ' A' ' 23' ' ' HIS . 22.7 t80 -106.23 153.59 21.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -109.2 123.56 49.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.886 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.85 -175.45 3.83 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.569 -0.741 . . . . 0.0 113.437 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 38' ' ' TRP . 30.4 t -90.79 146.32 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.0 t -79.1 141.14 37.59 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.33 -52.75 2.57 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.216 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.9 p -120.02 146.53 45.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -41.23 -40.9 1.72 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.04 25.05 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -62.81 -46.63 87.05 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.684 0.254 . . . . 0.0 111.684 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 96.6 m -78.3 -40.2 37.52 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 111.524 0.194 . . . . 0.0 111.524 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -47.02 -69.48 0.13 Allowed 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.233 0.333 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.61 -59.08 2.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.746 0.784 . . . . 0.0 109.574 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 13.6 t60 -43.02 -61.24 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.016 -1.447 . . . . 0.0 110.957 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 10.1 m -53.87 -57.19 11.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.422 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -51.97 -48.52 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -80.53 -31.0 37.15 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 40.3 mmtm -85.75 -48.49 8.76 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -129.28 82.96 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -28.05 71.6 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.835 1.654 . . . . 0.0 114.124 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.2 mm? -124.12 -178.01 3.95 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 32' ' ' SER . 31.6 pt -75.28 -51.12 22.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -178.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.423 ' N ' HG13 ' A' ' 31' ' ' ILE . 31.1 t -147.08 178.13 8.61 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.624 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -163.5 113.08 0.54 Allowed Glycine 0 C--N 1.336 0.544 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.176 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 35' ' ' CYS . 71.5 m -97.89 164.26 12.45 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.158 0.504 . . . . 0.0 111.77 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.869 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 64.6 m -96.94 119.41 35.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.883 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.675 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 93.3 m-70 -121.4 129.9 53.29 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 52.76 34.95 17.36 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.97 0.414 . . . . 0.0 110.721 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.502 ' HB3' HG13 ' A' ' 13' ' ' VAL . 64.6 m95 71.42 10.0 6.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.86 -178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.682 ' HD3' HD11 ' A' ' 6' ' ' LEU . 95.6 mttt -109.66 176.14 5.18 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.059 0.144 . . . . 0.0 110.756 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 51.3 m -114.13 124.01 51.04 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.4 OUTLIER -116.79 139.9 50.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.642 -1.163 . . . . 0.0 108.643 178.054 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 69.3 m -106.94 157.4 17.81 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 p -107.66 123.28 48.27 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.052 0.453 . . . . 0.0 111.596 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -129.45 141.43 51.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.5 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -75.98 141.34 42.22 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.772 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.876 -179.713 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 120.772 0.32 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.2 p -145.4 166.13 26.5 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.786 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 73.3 m -112.19 140.63 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.399 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.58 137.5 51.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.979 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -139.26 144.89 38.61 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.8 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 11' ' ' ARG . 2.3 tm? -91.16 123.2 34.44 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.233 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB3' ' NE2' ' A' ' 23' ' ' HIS . . . -79.93 135.1 36.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.909 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -88.1 21.62 2.7 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.518 HG23 ' HE1' ' A' ' 23' ' ' HIS . 4.2 t -108.74 -30.78 8.0 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.63 0.252 . . . . 0.0 111.595 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.914 ' HB3' ' CE1' ' A' ' 23' ' ' HIS . 42.0 t80 -135.6 113.72 11.32 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.312 0.245 . . . . 0.0 110.998 178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.681 ' HD3' HD11 ' A' ' 6' ' ' LEU . 87.4 mtm180 -149.58 108.77 3.93 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.34 -160.0 9.07 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.605 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG22 ' CE3' ' A' ' 38' ' ' TRP . 50.5 t -81.64 116.54 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 O-C-N 122.599 -0.353 . . . . 0.0 110.133 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -89.94 144.7 25.7 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.454 -0.499 . . . . 0.0 112.047 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -121.24 -42.26 2.48 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -131.2 147.3 52.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -48.62 -35.72 14.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.29 -21.36 34.26 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.5 t -62.21 -48.72 78.77 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 70.0 m -81.31 -37.66 28.03 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.5 0.19 . . . . 0.0 111.434 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.63 -57.67 5.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -51.81 -51.36 57.04 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.808 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.914 ' CE1' ' HB3' ' A' ' 10' ' ' TYR . 20.5 t60 -47.1 -58.16 4.32 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.994 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 86.8 m -57.31 -36.47 71.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.843 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -78.24 -33.96 49.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -89.77 -32.54 16.92 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 75.3 mmtt -90.9 -57.67 2.74 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -124.73 83.59 2.18 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.308 -178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 22.6 t-80 -31.89 70.47 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.785 1.634 . . . . 0.0 114.171 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.4 mm? -110.91 -175.3 2.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.929 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 32' ' ' SER . 29.2 pt -74.56 -51.12 23.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 31' ' ' ILE . 89.6 p -152.74 165.42 35.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.626 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -144.25 128.34 3.24 Favored Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.955 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 88.3 m -118.43 162.53 18.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 90.2 m -91.07 126.75 36.24 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 97.4 m-70 -124.07 128.16 48.91 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' HIS . 0.1 OUTLIER 25.57 66.66 0.05 Allowed 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.467 ' CE3' HG22 ' A' ' 13' ' ' VAL . 9.5 m95 59.91 25.07 14.17 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.626 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 96.5 mttt -136.66 154.43 50.64 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.121 -0.362 . . . . 0.0 110.874 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' O ' HD22 ' A' ' 6' ' ' LEU . 59.1 m -108.22 113.08 25.92 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.626 ' HE1' ' HB2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -108.46 148.67 29.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.328 178.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.3 m -109.43 162.43 14.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -108.1 128.33 54.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.962 0.411 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -135.67 150.91 49.74 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.011 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.28 131.45 40.35 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.109 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 26.4 p . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.153 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 120.294 0.093 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.0 p -124.77 141.49 52.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.891 0.377 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.7 p -115.95 143.5 45.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.043 0.449 . . . . 0.0 111.712 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 43' ' ' THR . 22.0 pt-20 -107.65 141.85 38.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.045 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.55 151.03 41.17 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.12 0.486 . . . . 0.0 111.682 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -85.26 131.1 34.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.206 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.588 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -90.18 123.58 34.12 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.927 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -78.26 -5.24 51.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.727 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 70.1 p -108.27 54.57 0.66 Allowed 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.432 0.634 . . . . 0.0 109.964 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.636 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 12.9 t80 -106.62 -163.92 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.577 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 53.3 mtm180 -108.32 -149.68 0.44 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.766 0.427 . . . . 0.0 110.213 -177.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.83 -101.87 1.22 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.091 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG13 ' NE1' ' A' ' 38' ' ' TRP . 62.0 t -89.46 142.13 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.643 0.259 . . . . 0.0 111.586 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -102.06 149.98 23.7 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.982 0.42 . . . . 0.0 111.474 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.48 -49.89 1.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.785 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.9 p -123.86 144.21 49.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -42.0 -33.4 0.55 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.078 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.67 -26.97 57.73 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.5 m -55.97 -52.85 62.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 94.2 m -70.41 -42.86 71.08 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -53.33 -64.02 0.96 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.378 0.424 . . . . 0.0 110.491 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.01 -53.56 40.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.583 ' ND1' ' HG3' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -44.47 -65.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.28 -1.327 . . . . 0.0 111.434 178.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 m -56.59 -46.48 80.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.601 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.16 -36.81 68.72 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -90.38 -40.02 12.33 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HG3' ' ND1' ' A' ' 23' ' ' HIS . 34.6 mmtp -77.09 -55.27 5.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -134.31 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.982 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -29.57 76.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.367 1.467 . . . . 0.0 114.15 -178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -105.75 -177.66 3.43 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.254 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 HD11 HG23 ' A' ' 43' ' ' THR . 24.9 pt -84.92 -45.74 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -150.51 164.43 35.97 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.62 ' CA ' ' SG ' ' A' ' 42' ' ' CYS . . . -153.62 132.2 3.52 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 121.046 -0.597 . . . . 0.0 113.447 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.2 m -125.84 152.9 44.87 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.638 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 84.7 m -88.29 132.67 34.3 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.198 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 95.6 m-70 -130.58 105.82 8.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.031 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m120 47.25 60.81 3.22 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.056 0.455 . . . . 0.0 110.785 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.584 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 65.9 7.88 4.95 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.664 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.615 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 95.3 mttt -116.7 160.14 21.19 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 122.164 -0.335 . . . . 0.0 111.673 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.636 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 44.7 m -114.08 118.13 33.21 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' A' ' 36' ' ' HIS . 0.3 OUTLIER -116.23 109.4 17.37 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' CA ' ' A' ' 33' ' ' GLY . 85.7 m -109.33 160.0 16.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.697 0.284 . . . . 0.0 111.309 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.626 HG23 HD11 ' A' ' 31' ' ' ILE . 7.8 t -108.0 138.82 43.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 111.327 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -135.93 155.15 50.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.487 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -71.22 126.83 30.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.73 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.478 -179.721 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 120.984 0.421 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.7 p -156.55 153.01 28.01 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.747 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 79.9 m -111.72 134.41 53.31 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 8.9 pm0 -109.93 126.05 53.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.883 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -125.15 139.87 53.38 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.709 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 40' ' ' CYS . 28.4 tp -90.32 129.03 36.59 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.565 178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.16 134.1 33.85 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.92 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -83.51 -15.47 49.25 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 81.4 p -107.01 68.73 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.336 0.588 . . . . 0.0 110.447 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.701 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 17.3 t80 -107.79 -170.93 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.278 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 31.6 mtp180 -107.88 25.46 11.52 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.767 -0.583 . . . . 0.0 111.97 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.84 -116.93 5.71 Favored Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.705 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' ' 38' ' ' TRP . 38.4 t -83.7 149.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 116.771 0.286 . . . . 0.0 111.264 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 18.0 t -111.6 123.76 50.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 121.212 -0.195 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HE1' ' HB ' ' A' ' 13' ' ' VAL . 2.9 m-85 -110.83 -61.72 1.64 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.2 p -91.89 146.53 23.68 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.454 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -53.39 -39.84 64.57 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.264 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.14 -34.08 63.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.2 m -55.07 -43.59 74.02 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.704 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.807 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 67.7 m -85.83 -39.69 16.8 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' HE3' ' A' ' 25' ' ' LYS . 57.1 t0 -50.48 -68.76 0.14 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.533 0.206 . . . . 0.0 110.576 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -45.96 -58.28 3.69 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.711 0.767 . . . . 0.0 109.256 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.69 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t60 -43.49 -55.52 4.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 110.183 178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 61.1 m -56.34 -57.75 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.156 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HE3' ' OD1' ' A' ' 21' ' ' ASP . 96.5 mttt -52.79 -43.68 66.05 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -83.63 -34.08 25.15 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.5 mmtt -86.34 -56.25 3.53 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.635 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -125.05 83.86 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.049 -179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.433 ' O ' ' ND1' ' A' ' 29' ' ' HIS . 18.7 t-80 -30.01 72.05 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.061 1.744 . . . . 0.0 113.623 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 28' ' ' ALA . 8.8 mp -117.42 -176.68 3.06 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.969 179.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 32' ' ' SER . 30.7 pt -79.49 -46.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' ILE . 80.5 p -163.48 167.42 21.51 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -156.25 152.82 24.21 Favored Glycine 0 C--N 1.34 0.793 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.64 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -130.74 173.47 10.89 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 117.632 0.716 . . . . 0.0 112.738 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.9 m -82.79 120.52 25.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.145 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.9 m-70 -108.43 -152.58 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.34 76.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 111.538 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.495 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER 59.3 28.34 17.64 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.757 -179.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 98.3 mttt -141.31 173.17 11.74 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.98 0.419 . . . . 0.0 111.929 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.701 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 5.5 m -121.66 115.95 23.68 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.116 0.484 . . . . 0.0 111.864 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.651 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -110.75 130.53 55.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.471 178.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 43.0 m -107.83 146.95 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 38.8 p -107.27 136.44 47.09 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.206 0.527 . . . . 0.0 111.758 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -129.74 148.39 51.62 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -66.12 120.87 13.95 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.24 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.5 p . . . . . 0 C--O 1.252 1.204 0 CA-C-O 118.584 -0.722 . . . . 0.0 111.142 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.221 0.057 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.8 p -144.36 164.82 29.67 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.81 0.338 . . . . 0.0 111.214 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.459 ' HB2' ' HE1' ' A' ' 5' ' ' HIS . 74.1 m -111.84 160.17 17.62 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.399 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -107.91 126.89 53.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.477 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.459 ' HE1' ' HB2' ' A' ' 3' ' ' CYS . 41.0 m80 -124.03 105.76 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.44 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 40' ' ' CYS . 19.4 tp -80.78 135.64 36.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.994 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.6 136.8 32.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.868 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -88.44 -21.92 23.98 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 23' ' ' HIS . 69.5 p -107.11 73.73 0.94 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.643 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 23.3 t80 -105.79 -172.42 2.09 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 38.0 mtm180 -107.28 35.24 3.12 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -176.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.29 -128.29 9.46 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.802 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 38' ' ' TRP . 30.8 t -75.51 148.78 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 116.814 0.307 . . . . 0.0 110.622 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 13.6 t -103.02 118.14 36.14 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 2.4 m-85 -101.5 -67.78 0.85 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -102.1 143.91 31.34 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -46.17 -48.36 17.53 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.538 0.209 . . . . 0.0 110.751 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -42.75 -37.8 1.89 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.323 178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 94.1 p -53.61 -56.72 14.74 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 98.4 m -73.01 -41.28 64.44 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -50.4 -63.63 1.06 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-O 120.64 0.257 . . . . 0.0 110.812 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -51.59 -53.71 35.41 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.946 0.879 . . . . 0.0 109.267 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.705 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 15.9 t60 -47.34 -54.93 9.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.456 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 69.7 m -53.15 -58.62 6.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.529 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.94 -42.06 68.44 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -81.31 -36.89 29.22 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.705 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 74.9 mmtt -87.8 -56.85 3.17 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -121.55 83.37 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.568 0.223 . . . . 0.0 110.455 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -28.69 73.38 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.919 1.688 . . . . 0.0 113.867 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 28' ' ' ALA . 8.4 mp -120.75 -174.98 2.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.797 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -85.84 -51.79 12.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 43' ' ' THR . 52.6 m -153.75 163.87 39.29 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -146.54 149.77 21.96 Favored Glycine 0 C--N 1.34 0.752 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.843 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.5 m -124.85 153.96 41.77 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.25 122.99 20.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.371 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.629 ' CD2' ' HB2' ' A' ' 41' ' ' PHE . 90.2 m-70 -116.85 -151.68 0.49 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -59.72 75.16 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.015 0.436 . . . . 0.0 111.853 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.561 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 57.6 30.84 19.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.394 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 67.4 mttm -144.04 179.82 6.96 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 112.077 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.729 ' O ' HD12 ' A' ' 6' ' ' LEU . 19.0 m -122.41 112.07 17.63 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.629 ' HB2' ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -108.22 126.86 53.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 177.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.509 ' HB2' HD22 ' A' ' 30' ' ' LEU . 29.8 m -105.85 151.95 23.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.31 -177.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 32' ' ' SER . 8.4 t -105.31 131.22 53.03 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.346 0.593 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -126.86 141.08 51.91 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.243 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -64.56 122.64 17.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.345 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 28.1 p . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.601 -0.714 . . . . 0.0 111.622 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 120.437 0.161 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.8 p -146.47 151.16 36.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.82 0.343 . . . . 0.0 111.347 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 46' ' ' CYS . 70.8 m -113.94 143.01 45.42 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.798 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 44.9 mt-10 -108.07 134.01 51.56 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.943 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -131.68 131.9 43.5 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.29 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.741 ' C ' HD13 ' A' ' 6' ' ' LEU . 1.1 tm? -91.15 124.37 35.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.496 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.64 108.55 19.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.954 0.407 . . . . 0.0 112.021 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.37 -7.61 3.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.499 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 68.7 p -107.16 57.83 0.63 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 109.706 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 49.1 t80 -108.04 168.51 9.23 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.848 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 11.5 ptp180 -108.17 103.0 12.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 -178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.53 -143.11 35.83 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 114.513 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG13 ' HA ' ' A' ' 38' ' ' TRP . 59.5 t -86.93 147.92 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.899 0.38 . . . . 0.0 110.775 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.9 t -95.07 118.16 31.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.327 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CE1' ' HB ' ' A' ' 13' ' ' VAL . 3.5 m-85 -107.23 -49.77 3.21 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.997 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -103.76 142.91 33.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.929 0.395 . . . . 0.0 111.356 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.58 -32.75 59.12 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.715 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.04 73.99 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 23' ' ' HIS . 69.9 p -62.61 -31.29 72.1 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.164 0.438 . . . . 0.0 111.892 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.9 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 91.4 m -88.04 -44.47 10.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 117.821 0.282 . . . . 0.0 111.176 179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.48 ' OD1' ' HE2' ' A' ' 25' ' ' LYS . 48.2 t0 -50.11 -65.29 0.59 Allowed 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.12 -55.07 11.18 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.602 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 14.2 t60 -47.07 -55.73 7.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 110.715 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.684 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.2 m -55.56 -49.72 71.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.747 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' A' ' 31' ' ' ILE . 66.0 mttm -63.1 -42.88 99.67 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -81.17 -32.57 33.55 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.602 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 34.5 mmtp -93.5 -58.56 2.25 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -118.11 83.2 1.96 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -28.96 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.058 1.743 . . . . 0.0 113.899 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 28' ' ' ALA . 10.0 mp -122.29 179.37 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.581 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.528 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 26.2 pt -70.5 -48.72 57.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 112.036 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' OG ' ' N ' ' A' ' 33' ' ' GLY . 34.5 t -164.1 -161.86 0.65 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.684 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . 178.38 144.66 5.69 Favored Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.355 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 36' ' ' HIS . 10.0 t -119.92 170.58 9.13 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 79.5 m -75.05 107.89 7.43 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.396 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' CE1' ' HB2' ' A' ' 41' ' ' PHE . 13.1 m80 -95.73 -149.66 0.31 Allowed 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -62.37 73.13 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.911 0.386 . . . . 0.0 111.63 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER 63.08 24.26 14.38 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.82 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 68.4 mttm -142.33 177.94 7.91 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.012 0.434 . . . . 0.0 111.714 -178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 35.2 m -120.65 114.34 21.56 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.801 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.663 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.6 m-85 -109.26 130.68 55.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' LEU . 31.9 m -106.71 152.99 23.07 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -177.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.428 ' C ' HD23 ' A' ' 30' ' ' LEU . 38.2 p -107.03 136.35 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.266 0.555 . . . . 0.0 111.562 -178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -131.35 151.55 51.42 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.424 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -70.73 128.0 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 27.7 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 117.865 -1.064 . . . . 0.0 111.771 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 120.401 0.143 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -135.9 161.42 35.67 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.167 0.508 . . . . 0.0 111.352 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 p -124.92 143.89 50.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.272 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -108.69 151.84 25.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -134.12 136.52 43.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.8 tt -88.86 125.8 35.08 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -87.27 120.02 28.12 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.59 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -67.93 -10.17 51.17 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.1 p -106.3 63.57 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.553 0.692 . . . . 0.0 110.647 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.717 ' CE1' ' SG ' ' A' ' 40' ' ' CYS . 25.6 t80 -106.31 -174.68 2.59 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.538 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 27.0 mtm180 -106.95 34.42 3.46 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.915 -0.491 . . . . 0.0 111.754 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.72 -109.89 3.23 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.023 -0.608 . . . . 0.0 113.362 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG22 ' HD1' ' A' ' 38' ' ' TRP . 63.1 t -88.01 154.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 120.924 0.393 . . . . 0.0 112.013 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' N ' HG12 ' A' ' 13' ' ' VAL . 19.4 t -103.67 148.83 25.57 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 121.085 0.469 . . . . 0.0 111.905 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' A' ' 15' ' ' PHE . 1.6 m-85 -121.35 -51.91 2.07 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.884 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.9 p -126.85 153.13 46.09 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.888 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -53.46 -34.27 57.33 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.49 -31.5 62.08 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.553 0.216 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.4 p -50.92 -72.84 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.901 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 92.0 m -53.79 -41.55 67.35 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.118 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.44 -63.78 1.05 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.479 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -48.76 -57.63 6.04 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.671 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.2 t60 -42.6 -61.73 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.631 178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 26.8 m -50.98 -57.39 8.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.622 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -53.3 -45.57 69.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -81.92 -32.66 30.77 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 44.4 mmtm -85.91 -49.54 7.79 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' O ' ' N ' ' A' ' 30' ' ' LEU . . . -128.96 83.74 2.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -31.36 72.86 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.449 1.5 . . . . 0.0 113.878 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.5 mm? -119.96 -170.26 1.93 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.222 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 32' ' ' SER . 32.0 pt -83.7 -49.97 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.432 ' N ' HG13 ' A' ' 31' ' ' ILE . 67.3 m -143.57 171.5 14.09 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -151.49 125.19 1.82 Allowed Glycine 0 C--N 1.339 0.707 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.89 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -113.28 156.18 23.79 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.047 0.451 . . . . 0.0 112.133 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.745 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 62.3 m -92.54 132.76 36.57 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.837 -0.619 . . . . 0.0 112.083 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' HD2' ' CD1' ' A' ' 41' ' ' PHE . 89.1 m-70 -117.3 -155.12 0.58 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.634 177.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -60.65 80.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.153 0.501 . . . . 0.0 111.608 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.864 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.6 OUTLIER 58.28 35.42 24.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.082 -179.304 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 41' ' ' PHE . 56.7 mttp -145.64 158.73 43.81 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.51 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.717 ' SG ' ' CE1' ' A' ' 10' ' ' TYR . 21.3 m -114.01 116.43 29.19 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 36' ' ' HIS . 1.1 m-85 -111.55 137.25 49.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.151 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -106.26 164.01 12.36 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 46.8 p -106.98 133.23 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.99 0.424 . . . . 0.0 110.663 -179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -148.05 120.04 8.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.538 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -62.0 136.76 58.1 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.545 -0.741 . . . . 0.0 111.319 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.656 0.265 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.3 p -147.5 144.51 28.61 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 p -113.18 131.56 55.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.922 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -108.68 152.83 24.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.397 178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -135.27 134.82 40.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.244 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.802 HD11 ' HD3' ' A' ' 39' ' ' LYS . 2.7 tt -85.23 132.11 34.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.559 178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.698 ' N ' HD23 ' A' ' 6' ' ' LEU . . . -89.6 122.93 33.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 112.237 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.76 -9.89 59.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.233 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.57 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 10.1 t -106.24 61.3 0.65 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.839 0.828 . . . . 0.0 108.892 178.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.74 ' CZ ' ' SG ' ' A' ' 40' ' ' CYS . 14.2 t80 -108.2 -159.13 0.68 Allowed 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.762 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.9 mtp180 -109.16 -142.0 0.38 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.825 -0.547 . . . . 0.0 110.126 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.16 -101.1 2.28 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.6 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.581 HG13 ' NE1' ' A' ' 38' ' ' TRP . 58.1 t -90.06 143.81 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.663 0.268 . . . . 0.0 111.598 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.8 t -99.74 143.63 29.74 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.813 0.339 . . . . 0.0 111.823 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -123.96 -52.08 1.78 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.431 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.0 p -118.3 143.44 46.6 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.784 0.326 . . . . 0.0 111.246 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.14 -30.76 3.04 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.3 63.05 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.1 p -50.35 -41.53 51.63 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 87.8 m -81.39 -44.46 17.52 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -50.39 -64.76 0.71 Allowed 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.692 0.282 . . . . 0.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.44 -55.23 16.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 122.008 0.909 . . . . 0.0 109.481 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HG3' ' A' ' 27' ' ' LYS . 7.5 t60 -47.22 -59.41 3.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.157 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 24.2 m -54.7 -50.77 67.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.383 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.83 -45.77 78.3 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -79.08 -39.91 32.57 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.739 ' HG3' ' CE1' ' A' ' 23' ' ' HIS . 73.0 mmtt -77.28 -58.62 3.17 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.557 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' O ' HD23 ' A' ' 30' ' ' LEU . . . -123.06 81.69 1.91 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.414 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -30.08 73.85 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.745 1.618 . . . . 0.0 114.136 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 28' ' ' ALA . 4.3 mm? -119.44 -174.78 2.8 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.728 178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 pt -74.15 -48.72 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.2 p -158.8 -175.41 5.28 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.594 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -171.12 140.6 6.01 Favored Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.217 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 m -124.47 158.42 32.88 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.653 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 91.7 m -78.06 137.44 38.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.271 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 92.8 m-70 -135.96 97.3 3.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.44 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m120 54.01 64.92 1.66 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.868 0.366 . . . . 0.0 110.587 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' NE1' HG13 ' A' ' 13' ' ' VAL . 0.7 OUTLIER 58.24 33.66 23.36 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.614 -179.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.802 ' HD3' HD11 ' A' ' 6' ' ' LEU . 60.7 mttp -141.78 160.77 39.51 Favored 'General case' 0 N--CA 1.462 0.169 0 O-C-N 122.358 -0.214 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.74 ' SG ' ' CZ ' ' A' ' 10' ' ' TYR . 23.2 m -119.72 120.24 36.01 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 112.266 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -109.27 136.63 48.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.873 178.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 60.3 m -105.95 157.07 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 80.9 p -106.17 120.23 41.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.878 0.37 . . . . 0.0 110.772 -178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -127.81 132.28 49.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.41 0.624 . . . . 0.0 111.983 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.33 126.66 31.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.418 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.214 -179.84 . . . . . . . . 0 0 . 1 stop_ save_