data_4b1q_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 4b1q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.747 -1.205 . . . . 73.11 107.747 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 71.31 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.44 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 55.1 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 71.01 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 74.42 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 73.45 111.304 178.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 71.22 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.613 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 71.43 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m . . . . . 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.454 0.645 . . . . 72.11 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.41 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 75.3 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 2.7 t-20 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 75.44 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 119.691 -0.195 . . . . 74.31 110.683 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 71.31 112.963 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.41 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.852 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 72.41 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 73.32 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 75.14 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.852 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.51 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 112.416 0.524 . . . . 64.31 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 55.22 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 73.12 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 75.55 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 70.21 110.569 178.398 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 74.2 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 75.25 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 74.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 72.12 109.653 -177.357 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 N-CA-C 111.205 -0.758 . . . . 70.35 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.405 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.38 -0.6 . . . . 74.01 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.517 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 72.42 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 62.33 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 62.11 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . 0.517 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 55.53 111.536 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 108.84 -0.8 . . . . 63.13 108.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.13 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.423 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 72.31 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 60.2 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 74.54 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 74.4 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 61.11 109.502 -176.203 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.061 0 N-CA-C 111.684 -0.567 . . . . 74.03 111.684 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 71.5 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 74.3 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.246 0.88 0 N-CA-C 112.548 0.573 . . . . 75.54 112.548 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.552 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 62.14 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.432 -1.325 0 N-CA-C 108.872 -0.788 . . . . 62.15 108.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 74.33 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.664 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 74.43 108.398 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 64.11 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 72.1 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.664 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.3 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 120.945 0.402 . . . . 73.43 111.959 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 71.01 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 64.51 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 74.33 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.863 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 55.02 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 . . . . . 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 73.13 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.863 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 75.04 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 112.548 0.573 . . . . 73.21 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 64.21 110.249 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 73.43 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.5 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 72.0 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 71.1 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 74.41 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 53.21 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 74.43 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . 0.482 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 . . . . . 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.49 0 N-CA-C 111.434 -0.666 . . . . 54.51 111.434 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 73.34 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 71.12 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.832 0.349 . . . . 71.35 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 63.42 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . 0.452 ' N ' HD21 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 73.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.085 -0.339 . . . . 75.32 110.085 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 75.3 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 74.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 72.41 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 72.14 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . 0.503 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 . . . . . 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 75.3 110.486 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.42 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . 0.643 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 72.32 106.471 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.107 0.41 . . . . 52.41 112.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 72.14 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 73.12 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 75.54 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 74.01 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.026 -0.731 . . . . 75.33 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 74.34 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 74.45 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.7 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 73.42 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 74.23 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 61.35 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 73.21 110.089 -175.041 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.7 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 73.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 113.099 0.777 . . . . 64.12 113.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 73.33 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 74.21 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.388 -0.227 . . . . 72.2 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 71.32 109.886 177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 75.43 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.424 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 73.32 107.317 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 64.41 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 75.11 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 72.03 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 74.23 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 64.1 109.706 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 CA-C-O 120.984 0.213 . . . . 62.31 112.722 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.424 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 64.42 109.146 -178.127 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 112.882 0.697 . . . . 65.44 112.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 63.31 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 52.34 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 71.54 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 75.11 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.431 -1.406 0 N-CA-C 108.183 -1.043 . . . . 71.12 108.183 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 74.14 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 72.35 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 74.2 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 75.14 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 73.23 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 73.0 109.462 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 70.22 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.242 0.682 0 CA-C-O 121.114 0.483 . . . . 71.11 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 63.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 74.31 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 51.53 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 73.23 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 73.12 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.485 -0.561 . . . . 75.21 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.451 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 74.44 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 75.45 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 55.33 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.451 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.212 0.529 . . . . 74.31 109.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 64.33 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 62.31 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 72.44 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 74.23 110.782 -179.546 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 120.343 0.116 . . . . 73.44 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.33 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.411 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' THR . . . . . 0.429 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 75.51 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . 0.429 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 74.44 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 75.41 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.411 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.891 0.377 . . . . 73.11 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.754 0.279 . . . . 72.25 111.754 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.449 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 62.1 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 73.32 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 . . . . . 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 75.32 108.382 -178.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.449 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.824 -0.065 . . . . 74.11 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 75.11 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . 0.404 ' N ' HD21 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 109.314 -0.624 . . . . 74.44 109.314 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 73.31 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 74.34 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 73.53 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 74.11 107.853 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 71.54 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 74.44 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 72.55 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 74.43 109.616 -176.66 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 73.0 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 74.22 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 74.44 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 75.3 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 71.24 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 74.11 111.037 179.256 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.431 -1.39 0 N-CA-C 109.928 -0.397 . . . . 70.41 109.928 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 63.43 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.23 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 73.44 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . 0.471 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 75.22 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 61.11 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 73.53 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 111.398 0.147 . . . . 75.24 111.398 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 62.44 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 54.32 111.767 178.023 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 108.667 -0.864 . . . . 74.25 108.667 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 75.21 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 75.42 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.14 106.839 173.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 62.25 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . 0.442 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 74.11 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.046 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 74.14 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . 0.447 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m . . . . . 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.773 0.657 . . . . 73.21 112.773 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 73.52 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 75.5 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 75.42 109.915 -176.265 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.421 -1.879 0 N-CA-C 109.544 -0.539 . . . . 65.43 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.23 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 72.1 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.514 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 73.43 107.98 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.53 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . 0.504 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . 0.504 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 74.53 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . 0.404 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.998 0 N-CA-C 111.274 -0.731 . . . . 61.15 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 19' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 75.03 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.514 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 61.23 104.679 175.306 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.752 -0.462 . . . . 74.02 109.752 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 73.43 111.17 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.44 -0.93 0 N-CA-C 111.258 0.096 . . . . 63.14 111.258 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 72.31 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.53 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.58 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 64.23 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.51 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 71.44 108.844 -177.684 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 61.4 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 74.22 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.58 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 73.44 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 74.23 108.732 -177.165 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 111.934 0.346 . . . . 75.33 111.934 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . 0.604 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 73.51 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 71.55 109.763 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 74.12 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . 0.604 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 61.22 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 70.42 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.734 -0.469 . . . . 73.13 109.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 74.2 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.51 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 74.2 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 12' ' ' CYS . . . . . 0.402 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 15' ' ' TYR . . . . . 0.402 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 75.23 114.054 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 . . . . . 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -175.524 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.443 0 N-CA-C 111.951 -0.46 . . . . 61.13 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 75.14 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 20' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 112.001 0.371 . . . . 73.15 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 63.44 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.437 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.244 0.783 0 N-CA-C 110.387 -0.227 . . . . 71.32 110.387 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.437 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -100.63 137.28 39.24 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.732 -0.84 . . . . 72.3 108.732 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 88.5 mt -88.07 98.39 11.5 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.724 -0.843 . . . . 71.5 108.724 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -76.77 155.98 82.91 Favored Pre-proline 0 C--O 1.262 1.727 0 CA-C-N 115.905 -0.589 . . . . 74.23 110.842 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.553 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 51.6 Cg_endo -68.5 175.45 6.98 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.549 2.166 . . . . 73.33 111.565 177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.502 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.8 m -89.03 -153.6 0.27 Allowed 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 107.747 -1.205 . . . . 73.11 107.747 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 71.31 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.613 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.44 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 55.1 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 71.01 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 74.42 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -57.93 146.34 32.59 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 73.45 111.304 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.404 ' HB3' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.51 -12.94 82.41 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 71.22 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.613 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 71.43 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m -147.69 140.7 24.98 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -54.92 -34.47 63.19 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.572 1.149 . . . . 72.11 111.87 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.41 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 75.3 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . 0.633 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 2.7 t-20 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 75.44 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.595 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.493 ' H5 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.493 ' H1 ' ' H5 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.766 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.766 ' H1 ' ' O3 ' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.641 -0.133 . . . . 54.4 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -113.22 112.05 23.1 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 107.938 -1.134 . . . . 72.31 107.938 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.42 121.6 30.99 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.71 -0.848 . . . . 71.2 108.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.608 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 34.6 m -67.66 148.16 98.59 Favored Pre-proline 0 C--N 1.305 -1.331 0 CA-C-N 116.223 -0.444 . . . . 72.45 110.258 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.548 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 48.4 Cg_endo -66.11 168.89 14.65 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.133 1.888 . . . . 75.3 111.345 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.503 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 14.1 m -84.59 -156.02 0.22 Allowed 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.835 -0.621 . . . . 74.31 110.683 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 71.31 112.963 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.41 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.852 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 72.41 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.63 HG23 ' HA ' ' P' ' 17' ' ' HYP . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -91.92 132.22 36.66 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.63 ' HA ' HG23 ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -23.0 76.09 Favored Glycine 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 73.32 110.695 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 75.14 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.852 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.51 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m -129.4 135.11 48.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m -55.88 -43.73 77.48 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.784 -0.644 . . . . 64.31 112.416 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 55.22 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 73.12 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 75.55 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 70.21 110.569 178.398 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.64 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.492 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.492 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.418 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.64 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.639 0 N-CA-C 110.068 -0.345 . . . . 75.32 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.428 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 46.5 p90 -100.85 -177.92 3.61 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.964 -1.124 . . . . 75.25 107.964 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.65 93.37 7.34 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 119.782 -0.767 . . . . 62.33 109.07 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.493 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 21.4 m -73.1 161.13 80.82 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 115.293 -0.867 . . . . 72.22 108.685 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.493 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 56.6 Cg_endo -70.8 167.48 25.67 Favored 'Trans proline' 0 N--CA 1.437 -1.801 0 C-N-CA 121.208 1.272 . . . . 73.13 110.887 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.428 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 3.1 m -85.8 -160.07 0.5 Allowed 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 -178.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 74.2 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.405 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 75.25 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 74.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -105.69 144.57 32.25 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 72.12 109.653 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.92 -20.5 70.68 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 111.205 -0.758 . . . . 70.35 111.205 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.405 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -149.93 157.31 43.04 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -57.53 -35.22 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.108 0.963 . . . . 74.01 109.38 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.517 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 72.42 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 62.33 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 62.11 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . 0.517 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 55.53 111.536 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.679 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.4 ' H5 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.4 ' H1 ' ' H5 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.511 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.679 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.498 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.645 0 N-CA-C 109.293 -0.632 . . . . 71.41 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.498 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -118.97 141.64 48.49 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 109.426 -0.583 . . . . 73.43 109.426 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.54 105.65 15.52 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.044 -0.725 . . . . 64.3 109.044 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 m -90.81 131.11 38.46 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 112.875 0.694 . . . . 73.31 112.875 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.423 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 58.1 Cg_endo -72.82 175.99 9.57 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.516 2.144 . . . . 72.14 111.576 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -96.92 -150.59 0.34 Allowed 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.84 -0.8 . . . . 63.13 108.84 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.13 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.423 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 72.31 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 60.2 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 74.54 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 74.4 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -116.81 145.63 43.4 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 61.11 109.502 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.82 75.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.408 -0.901 . . . . 74.03 111.684 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 71.5 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 74.3 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -139.62 142.73 37.03 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -57.15 -42.78 81.67 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 123.867 0.867 . . . . 75.54 112.548 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.552 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 62.14 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.504 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.483 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.483 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.504 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.856 -0.794 . . . . 75.12 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . 0.418 ' HD1' HG23 ' P' ' 5' ' ' VAL . 65.6 t-105 -91.7 130.91 37.41 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.856 -1.066 . . . . 74.43 109.309 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.47 90.92 8.37 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.64 -1.244 . . . . 74.11 107.64 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.418 HG23 ' HD1' ' P' ' 3' ' ' TRP . 7.8 t -65.74 125.86 90.59 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 115.255 -0.884 . . . . 70.44 110.072 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.541 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 52.0 Cg_endo -68.23 175.2 7.02 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.52 2.814 . . . . 61.42 111.785 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.569 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.0 m -84.23 -155.61 0.2 Allowed 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.386 -0.825 . . . . 62.15 108.872 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 74.33 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.664 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.425 HG22 ' HA ' ' P' ' 17' ' ' HYP . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 74.43 108.398 175.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 64.11 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . 0.405 ' HA ' HD23 ' P' ' 17' ' ' HYP . 94.6 m-20 -81.16 136.13 35.85 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.425 ' HA ' HG22 ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.74 -12.36 66.7 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 72.1 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.664 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.3 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m -128.4 138.81 52.51 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -55.81 -31.06 62.33 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.308 0.643 . . . . 73.43 111.959 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 71.01 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 64.51 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.587 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.401 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.401 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.587 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.45 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.656 0 CA-C-O 120.652 0.263 . . . . 62.2 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.45 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -99.35 124.92 44.87 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.639 -1.245 . . . . 74.14 107.639 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' H4 ' ' P' 1031 ' ' A2G . 2.0 tm? -108.42 104.94 14.4 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.037 -1.468 . . . . 72.44 107.037 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.533 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 34.6 m -67.92 159.13 81.07 Favored Pre-proline 0 C--O 1.249 1.051 0 CA-C-N 115.549 -0.751 . . . . 72.25 111.616 -178.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 39.6 Cg_endo -68.24 174.97 7.31 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.49 2.126 . . . . 75.02 111.436 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -88.36 -155.34 0.32 Allowed 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 74.33 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.863 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 55.02 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -43.47 128.51 5.02 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.98 -1.46 88.79 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 73.13 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.863 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 75.04 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m -132.66 140.4 48.15 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -56.63 -34.63 67.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.644 -0.707 . . . . 73.21 112.548 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 64.21 110.249 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.464 ' H4 ' ' CD1' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.48 ' H5 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.48 ' H1 ' ' H5 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.673 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.673 ' H1 ' ' O3 ' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 CA-C-O 120.69 0.281 . . . . 71.41 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -98.4 114.92 27.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.652 -0.499 . . . . 73.4 109.652 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -82.95 136.51 34.52 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.354 -0.839 . . . . 73.41 108.899 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.54 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 9.4 t -102.13 122.01 48.42 Favored Pre-proline 0 C--N 1.301 -1.53 0 C-N-CA 119.485 -0.886 . . . . 74.41 111.446 -173.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.56 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 85.3 Cg_endo -77.11 174.37 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.309 3.339 . . . . 74.24 111.022 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.528 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.2 m -94.35 -153.34 0.37 Allowed 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 73.43 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.5 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 72.0 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 71.1 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 74.41 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 53.21 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 74.43 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . 0.482 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 -95.61 124.25 39.55 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.77 6.56 82.88 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.439 -0.886 . . . . 54.51 111.434 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 73.34 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 71.12 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p -146.36 157.4 43.78 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -59.55 -34.94 73.31 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 124.608 1.163 . . . . 71.35 111.236 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 63.42 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . 0.452 ' N ' HD21 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 73.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.572 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.572 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 N-CA-C 110.036 -0.357 . . . . 73.42 110.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -77.73 137.21 38.36 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.355 -0.609 . . . . 75.02 109.355 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.35 87.05 5.03 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.535 0.683 . . . . 75.3 110.446 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -79.11 137.09 56.93 Favored Pre-proline 0 C--O 1.251 1.172 0 CA-C-N 114.913 -1.039 . . . . 71.32 112.298 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.476 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 87.3 Cg_endo -78.74 -170.05 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.405 2.07 . . . . 70.4 109.172 172.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.41 ' CA ' ' H5 ' ' P' 1031 ' ' A2G . 4.5 m -93.13 -165.87 1.42 Allowed 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.898 -0.501 . . . . 75.32 110.085 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 75.3 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 74.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 72.41 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 72.14 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . 0.503 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 -110.11 136.21 49.7 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 75.3 110.486 -175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.58 -1.58 80.49 Favored Glycine 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.42 111.446 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' THR . . . . . 0.503 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . 0.643 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m -142.5 135.08 28.01 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 72.32 106.471 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . 0.482 HD22 ' CG ' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -54.81 -35.72 64.19 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.597 0.759 . . . . 52.41 112.107 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 72.14 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 73.12 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 75.54 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 74.01 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.476 ' H5 ' ' C ' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.587 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.587 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.41 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.432 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 0 N-CA-C 109.73 -0.471 . . . . 62.32 109.73 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -72.42 130.44 40.71 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.022 -0.99 . . . . 74.23 108.895 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.35 102.37 9.53 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.622 -1.622 . . . . 63.24 106.622 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.525 HG21 ' H14' ' P' 1031 ' ' A2G . 31.3 m -81.29 130.98 60.22 Favored Pre-proline 0 C--N 1.293 -1.883 0 C-N-CA 120.302 -0.559 . . . . 75.24 111.382 -175.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.529 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 56.7 Cg_endo -73.38 -177.32 2.95 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 121.936 1.758 . . . . 73.02 109.097 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -92.97 -163.5 1.06 Allowed 'General case' 0 C--N 1.272 -2.763 0 N-CA-C 109.026 -0.731 . . . . 75.33 109.026 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 74.34 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 74.45 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.7 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 73.42 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 74.23 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 61.35 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -101.83 141.94 33.91 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 73.21 110.089 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.66 76.97 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.7 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 73.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m -135.97 133.25 37.35 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m -56.4 -29.61 61.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.773 0.829 . . . . 64.12 113.099 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 73.33 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 74.21 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.529 ' H5 ' ' C ' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.467 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.467 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.442 ' H2 ' ' HO4' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.524 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 109.882 -0.414 . . . . 61.43 109.882 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.432 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -82.09 127.3 32.98 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.572 -1.27 . . . . 74.31 107.572 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.25 92.34 4.48 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.797 -1.186 . . . . 73.21 107.797 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -72.07 137.74 81.97 Favored Pre-proline 0 C--O 1.25 1.125 0 CA-C-N 115.03 -0.986 . . . . 73.32 112.673 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.51 -175.61 1.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.696 2.264 . . . . 72.1 111.273 177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.438 ' O ' H8C1 ' P' 1032 ' ' NDG . 12.2 m -83.84 -159.23 0.36 Allowed 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 122.86 0.464 . . . . 72.2 110.388 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' P' 1033 ' ' GXL . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 71.32 109.886 177.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 75.43 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.424 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 73.32 107.317 175.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 64.41 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 75.11 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 72.03 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 74.23 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -122.92 131.83 53.9 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 64.1 109.706 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.53 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.03 -6.22 59.94 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.092 -0.575 . . . . 62.31 112.722 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.424 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m -130.6 148.92 52.45 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 64.42 109.146 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -54.84 -35.96 64.53 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.901 0.88 . . . . 65.44 112.882 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 63.31 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 52.34 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 71.54 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 75.11 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.572 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.438 H8C1 ' O ' ' P' ' 7' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.452 ' HA ' ' NE2' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.483 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.572 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.859 -0.423 . . . . 64.21 109.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -102.23 115.27 30.2 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 115.992 -0.549 . . . . 75.54 109.671 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.69 103.21 5.69 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.242 -0.89 . . . . 71.31 110.04 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.97 131.4 48.98 Favored Pre-proline 0 C--O 1.252 1.223 0 CA-C-N 115.123 -0.944 . . . . 71.41 112.746 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.59 -167.46 0.5 Allowed 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.142 1.895 . . . . 75.11 110.176 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -99.62 -157.1 0.58 Allowed 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 108.183 -1.043 . . . . 71.12 108.183 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 74.14 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 72.35 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 74.2 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 75.14 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 73.23 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -142.62 146.25 34.33 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 73.0 109.462 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.53 -1.54 80.67 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 70.22 110.874 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -173.11 146.4 1.46 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -54.88 -35.63 64.27 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 125.106 1.362 . . . . 71.11 111.048 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 63.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 74.31 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 51.53 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 73.23 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 73.12 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.555 ' O3 ' ' H5 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.497 H8C2 ' H2 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.555 ' H5 ' ' O3 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 110.382 -0.229 . . . . 53.32 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -101.82 108.89 20.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.726 -1.213 . . . . 74.21 107.726 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.4 101.63 12.15 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.956 -0.757 . . . . 73.32 108.956 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.57 132.35 95.37 Favored Pre-proline 0 C--O 1.26 1.618 0 CA-C-N 115.456 -0.793 . . . . 73.23 109.913 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.43 179.27 4.72 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.813 1.675 . . . . 74.3 111.492 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.602 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -75.2 -173.11 1.91 Allowed 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.635 -0.711 . . . . 75.21 109.485 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' P' ' 17' ' ' HYP . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 74.44 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 75.45 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -124.77 143.51 50.75 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.457 ' HA ' ' O ' ' P' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.69 -12.82 79.41 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 55.33 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.451 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.72 149.62 11.35 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -61.85 -23.31 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.082 0.553 . . . . 74.31 109.964 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 64.33 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 62.31 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 72.44 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 74.23 110.782 -179.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.602 ' H5 ' ' N ' ' P' ' 7' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.472 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.472 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.479 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.482 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.831 -0.433 . . . . 73.54 109.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -89.53 105.84 18.06 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.119 -0.697 . . . . 74.22 109.119 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.01 126.29 31.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.732 -1.21 . . . . 75.34 107.732 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.45 145.83 40.63 Favored Pre-proline 0 C--N 1.292 -1.929 0 N-CA-C 112.348 0.499 . . . . 55.43 112.348 -173.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.481 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 63.2 Cg_endo -74.28 178.91 6.37 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.182 1.921 . . . . 75.12 109.944 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.45 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.8 m -87.76 -164.48 1.11 Allowed 'General case' 0 C--N 1.283 -2.29 0 O-C-N 122.303 -0.248 . . . . 73.44 110.999 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . 0.54 ' HB3' ' O2 ' ' P' 1033 ' ' GXL . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.33 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.411 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.429 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 75.51 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . 0.429 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 74.44 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -129.21 147.17 51.03 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.43 -24.15 70.65 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 75.41 111.155 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.411 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . 0.408 ' HA ' HD23 ' P' ' 22' ' ' HYP . 26.4 p -160.69 144.53 13.65 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . 0.408 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -56.12 -35.55 67.21 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.117 0.967 . . . . 73.11 111.682 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.532 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.54 ' O2 ' ' HB3' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.532 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 N-CA-C 109.423 -0.584 . . . . 63.41 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -67.69 127.98 34.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.976 -1.12 . . . . 74.32 107.976 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -84.93 119.46 25.39 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.447 -0.946 . . . . 73.34 108.447 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.04 155.36 38.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-O 121.003 0.43 . . . . 74.23 111.892 -173.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.471 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 59.9 Cg_endo -76.83 -168.04 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.302 2.001 . . . . 71.44 109.184 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -88.56 -166.89 1.71 Allowed 'General case' 0 C--N 1.284 -2.253 0 O-C-N 121.487 -0.758 . . . . 72.25 111.754 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . 0.768 ' OE1' ' HA ' ' P' 1033 ' ' GXL . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.449 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 62.1 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 73.32 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -130.82 148.38 52.59 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 75.32 108.382 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.35 -18.86 75.37 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.449 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m -126.89 141.52 51.79 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -50.5 -45.42 56.48 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 125.315 1.446 . . . . 74.11 110.824 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 75.11 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . 0.404 ' N ' HD21 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.574 ' H8A' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.481 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.768 ' HA ' ' OE1' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.574 ' H3 ' ' H8A' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 110.608 -0.145 . . . . 72.53 110.608 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -108.12 117.73 34.91 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 115.745 -0.662 . . . . 75.23 109.564 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.38 105.05 12.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.601 -0.889 . . . . 74.45 108.601 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.43 157.79 84.2 Favored Pre-proline 0 C--N 1.302 -1.468 0 CA-C-N 115.458 -0.792 . . . . 73.12 110.539 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.497 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 38.5 Cg_endo -68.4 176.97 5.04 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.321 2.014 . . . . 74.45 110.889 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.487 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 2.2 m -88.3 -160.66 0.66 Allowed 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.314 -0.624 . . . . 74.44 109.314 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 73.31 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 74.34 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 73.53 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.427 HG22 ' HA ' ' P' ' 17' ' ' HYP . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 74.11 107.853 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 71.54 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 74.44 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 72.55 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -125.58 152.9 44.48 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 74.43 109.616 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.427 ' HA ' HG22 ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.8 -8.39 84.5 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 73.0 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 74.22 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -140.1 127.11 20.86 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . 0.426 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -54.72 -34.7 62.8 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 74.44 111.854 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 75.3 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' MET . . . . . 0.426 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 71.24 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 74.11 111.037 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.625 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.531 ' H5 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.531 ' H1 ' ' H5 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.465 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.625 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 110.04 -0.356 . . . . 74.43 110.04 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -98.46 135.75 39.58 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.685 -0.857 . . . . 74.22 108.685 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.9 88.99 4.09 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.288 -1.004 . . . . 72.54 108.288 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . 0.434 HG22 ' H14' ' P' 1031 ' ' A2G . 27.6 m -68.15 138.81 92.31 Favored Pre-proline 0 C--N 1.303 -1.455 0 CA-C-N 114.56 -1.2 . . . . 74.15 112.969 -174.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.559 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 60.5 Cg_endo -74.71 176.5 9.72 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.343 2.029 . . . . 75.43 110.018 173.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.613 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 7.4 m -80.33 -174.81 4.78 Favored 'General case' 0 C--N 1.281 -2.372 0 N-CA-C 109.928 -0.397 . . . . 70.41 109.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 63.43 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.23 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 73.44 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . 0.471 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 75.22 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 61.11 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 73.53 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -118.95 141.02 49.03 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.422 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.32 -27.68 73.64 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -139.0 148.82 43.94 Favored 'General case' 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -59.18 -29.39 67.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.286 0.634 . . . . 75.24 111.398 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 62.44 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 54.32 111.767 178.023 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.613 ' H5 ' ' N ' ' P' ' 7' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.665 ' O3 ' ' H1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.665 ' H1 ' ' O3 ' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 N-CA-C 110.554 -0.165 . . . . 74.03 110.554 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -94.36 119.95 33.88 Favored 'General case' 0 N--CA 1.421 -1.925 0 N-CA-C 106.839 -1.541 . . . . 73.33 106.839 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.84 101.62 10.31 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.737 -0.468 . . . . 73.44 109.737 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.0 m -78.25 132.64 65.9 Favored Pre-proline 0 C--N 1.302 -1.458 0 CA-C-N 115.844 -0.616 . . . . 71.03 109.983 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.44 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 62.5 Cg_endo -74.29 -174.34 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.985 1.79 . . . . 75.42 110.6 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.539 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 1.5 m -80.85 -159.0 0.22 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.667 -0.864 . . . . 74.25 108.667 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 75.21 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.467 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 75.42 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.14 106.839 173.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 62.25 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . 0.442 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 74.11 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . 0.402 ' HA ' HD23 ' P' ' 17' ' ' HYP . 79.8 m-20 -120.36 139.48 52.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.559 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.67 -15.43 77.79 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 74.14 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . 0.447 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m -142.28 119.26 11.29 Favored 'General case' 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -46.77 -39.33 11.56 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.893 1.277 . . . . 73.21 112.773 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 73.52 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 75.5 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 75.42 109.915 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.672 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.672 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 N-CA-C 110.184 -0.302 . . . . 74.41 110.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -93.36 123.19 36.48 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.133 -1.062 . . . . 74.23 108.133 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . 0.477 ' HB3' ' O6 ' ' P' 1034 ' ' GAL . 3.9 mm? -71.26 103.78 2.93 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.972 -0.751 . . . . 75.42 108.972 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.4 137.28 39.38 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 115.274 -0.875 . . . . 73.31 112.17 -173.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.876 ' HG3' ' HB2' ' P' ' 17' ' ' HYP . 71.1 Cg_endo -71.07 172.31 14.16 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.699 2.266 . . . . 73.2 112.155 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.421 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 13.1 m -86.39 -155.63 0.26 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.341 -0.845 . . . . 65.43 109.544 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.23 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 72.1 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.514 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.445 HG22 ' HA ' ' P' ' 17' ' ' HYP . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 73.43 107.98 178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.53 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . 0.504 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . 0.504 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 74.53 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . 0.404 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 -97.31 145.16 26.38 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.876 ' HB2' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.31 65.02 Favored Glycine 0 CA--C 1.498 -0.998 0 C-N-CA 120.587 -0.816 . . . . 61.15 111.274 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 19' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 75.03 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.514 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.73 153.5 31.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 61.23 104.679 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . 0.557 ' O ' ' HG3' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -62.75 -28.68 70.14 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 122.958 0.503 . . . . 74.02 109.752 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.515 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 25' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' P' ' 22' ' ' HYP . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 73.43 111.17 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . 0.515 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.753 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.44 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.44 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.477 ' O6 ' ' HB3' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.753 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.302 -0.258 . . . . 73.23 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . 0.447 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -109.36 128.4 55.09 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 108.12 -1.067 . . . . 74.41 108.12 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . 0.69 ' HB2' ' H62' ' P' 1034 ' ' GAL . 2.1 pt? -87.29 99.05 11.68 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.836 0.827 . . . . 72.03 110.284 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 m -75.08 138.88 72.41 Favored Pre-proline 0 C--N 1.307 -1.243 0 CA-C-N 115.334 -0.848 . . . . 72.31 112.321 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.58 -173.57 1.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.545 2.164 . . . . 75.42 111.505 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.47 ' HA ' ' H5 ' ' P' 1031 ' ' A2G . 15.4 m -89.41 -159.97 0.63 Allowed 'General case' 0 C--N 1.289 -2.031 0 C-N-CA 124.025 0.93 . . . . 63.14 111.258 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 72.31 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.53 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.58 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 64.23 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.51 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -116.22 142.18 47.17 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 71.44 108.844 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . 0.505 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.22 -19.97 74.59 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 61.4 110.992 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 74.22 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.58 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 73.44 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m -136.0 147.67 48.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 74.23 108.732 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . 0.575 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m -54.78 -43.75 73.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.797 -1.092 . . . . 75.33 111.934 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . 0.604 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 73.51 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 25' ' ' MET . . . . . 0.575 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 71.55 109.763 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 74.12 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . 0.604 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 61.22 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 70.42 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.494 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.718 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.718 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P 1034 ' ' GAL . . . . . 0.69 ' H62' ' HB2' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.494 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.945 -0.391 . . . . 64.4 109.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -118.94 136.74 53.92 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.045 -0.724 . . . . 74.35 109.045 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' LEU . . . . . 0.516 HD21 ' H ' ' P' ' 4' ' ' LEU . 1.8 pt? -78.69 95.38 5.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.391 -1.337 . . . . 73.4 107.391 171.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.1 127.39 91.62 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 115.165 1.543 . . . . 73.35 115.165 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' PRO . . . . . 0.514 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 90.9 Cg_endo -81.94 175.23 9.46 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 122.803 2.335 . . . . 74.22 109.933 174.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' SER . . . . . 0.465 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -88.18 -161.31 0.71 Allowed 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 109.734 -0.469 . . . . 73.13 109.734 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 74.2 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.51 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 74.2 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 12' ' ' CYS . . . . . 0.402 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 15' ' ' TYR . . . . . 0.402 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 75.23 114.054 -176.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -103.17 142.18 34.59 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -175.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.84 -2.29 81.58 Favored Glycine 0 C--O 1.239 0.443 0 C-N-CA 120.281 -0.962 . . . . 61.13 111.951 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 75.14 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 20' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m -139.65 140.61 36.97 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -57.48 -40.78 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.97 -1.014 . . . . 73.15 112.001 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 63.44 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P 1031 ' ' A2G . . . . . 0.604 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P 1032 ' ' NDG . . . . . 0.504 ' H3 ' ' H1 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P 1033 ' ' GXL . . . . . 0.504 ' H1 ' ' H3 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P 1035 ' ' GXL . . . . . 0.604 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.747 -1.205 . . . . 72.23 107.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 70.24 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.2 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 32.14 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 45.42 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 55.34 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 71.22 111.304 178.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 53.1 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 44.05 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 21' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m . . . . . 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.454 0.645 . . . . 63.44 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.63 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.34 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 73.23 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 67.1 t30 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 64.12 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 119.691 -0.195 . . . . 71.41 110.683 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 63.31 112.963 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.33 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.878 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 64.54 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 60.11 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 63.22 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.878 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.41 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 112.416 0.524 . . . . 30.01 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 42.42 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 72.14 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 54.13 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 40.12 110.569 178.398 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 70.22 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 44.42 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 73.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 60.34 109.653 -177.357 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 N-CA-C 111.205 -0.758 . . . . 50.01 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.458 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.38 -0.6 . . . . 54.55 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 63.12 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 53.34 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 45.1 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 34.43 111.536 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 108.84 -0.8 . . . . 44.4 108.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.12 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 60.21 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 53.34 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 72.33 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 63.41 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 60.41 109.502 -176.203 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.061 0 N-CA-C 111.684 -0.567 . . . . 74.03 111.684 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 64.12 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.45 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 72.23 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.246 0.88 0 N-CA-C 112.548 0.573 . . . . 73.54 112.548 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 54.51 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.432 -1.325 0 N-CA-C 108.872 -0.788 . . . . 34.14 108.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 71.34 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.692 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 72.52 108.398 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 50.24 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 53.24 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.692 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.23 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 120.945 0.402 . . . . 64.42 111.959 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 70.33 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 62.24 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 73.34 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.908 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 51.34 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 . . . . . 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 44.31 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.908 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 64.34 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 112.548 0.573 . . . . 73.11 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 29' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 43.05 110.249 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 54.21 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.44 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 53.21 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 61.52 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 73.21 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 52.31 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 65.24 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 16' ' ' ASN . . . . . 0.501 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 . . . . . 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.49 0 N-CA-C 111.434 -0.666 . . . . 50.34 111.434 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 71.31 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 64.21 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.832 0.349 . . . . 65.14 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 53.55 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 63.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.085 -0.339 . . . . 75.32 110.085 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 74.02 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 52.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 62.14 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 62.32 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 16' ' ' ASN . . . . . 0.523 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 . . . . . 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 71.12 110.486 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.1 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' CYS . . . . . 0.653 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 63.23 106.471 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.107 0.41 . . . . 52.41 112.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 51.34 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 25' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 61.23 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 50.41 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 63.51 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.026 -0.731 . . . . 74.2 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 73.35 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 73.34 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 71.34 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 71.04 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 60.24 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 71.53 110.089 -175.041 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.739 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 70.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 113.099 0.777 . . . . 64.12 113.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 64.24 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 72.34 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 29' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.388 -0.227 . . . . 72.2 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 8' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' P' ' 8' ' ' GLN . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 64.11 109.886 177.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 63.54 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 62.42 107.317 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 55.45 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 73.4 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 70.54 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 71.14 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 54.23 109.706 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 CA-C-O 120.984 0.213 . . . . 53.5 112.722 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.474 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 61.45 109.146 -178.127 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 112.882 0.697 . . . . 65.44 112.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 52.14 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 43.24 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 64.22 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 64.52 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.431 -1.406 0 N-CA-C 108.183 -1.043 . . . . 63.21 108.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 73.32 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 70.02 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 71.04 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 73.53 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 51.51 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 72.31 109.462 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 44.32 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.242 0.682 0 CA-C-O 121.114 0.483 . . . . 71.11 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 61.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 62.43 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 50.45 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 70.52 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 60.14 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.485 -0.561 . . . . 75.21 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.446 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 71.42 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 73.21 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 24.44 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.446 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.212 0.529 . . . . 64.23 109.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 61.2 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 54.12 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 54.41 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 65.24 110.782 -179.546 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 120.343 0.116 . . . . 73.44 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.22 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.456 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 11' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 63.22 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 73.13 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 71.4 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.456 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.891 0.377 . . . . 64.32 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 29' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.754 0.279 . . . . 53.3 111.754 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 53.31 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 72.13 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 . . . . . 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 71.13 108.382 -178.773 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.494 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.824 -0.065 . . . . 74.11 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 74.42 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 109.314 -0.624 . . . . 23.14 109.314 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 70.13 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 72.22 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 63.24 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 71.41 107.853 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 52.33 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 72.34 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 71.43 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 62.33 109.616 -176.66 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 70.2 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 73.41 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 63.34 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 73.52 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 63.33 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 71.12 111.037 179.256 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.431 -1.39 0 N-CA-C 109.928 -0.397 . . . . 53.12 109.928 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 52.44 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.12 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 65.34 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 72.44 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 43.41 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 15' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 63.34 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 111.398 0.147 . . . . 52.12 111.398 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 53.52 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 44.23 111.767 178.023 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 108.667 -0.864 . . . . 74.14 108.667 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 64.0 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.431 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 72.44 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.13 106.839 173.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 52.44 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 15' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 62.02 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.046 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 31.33 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.431 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m . . . . . 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.773 0.657 . . . . 63.42 112.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 72.31 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 62.21 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 62.21 109.915 -176.265 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.421 -1.879 0 N-CA-C 109.544 -0.539 . . . . 64.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.11 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 64.44 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.528 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 72.1 107.98 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.2 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 13' ' ' CYS . . . . . 0.527 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 15' ' ' TYR . . . . . 0.527 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 73.11 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.998 0 N-CA-C 111.274 -0.731 . . . . 61.15 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 61.23 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.528 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 53.31 104.679 175.306 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.752 -0.462 . . . . 74.02 109.752 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 71.51 111.17 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.44 -0.93 0 N-CA-C 111.258 0.096 . . . . 52.32 111.258 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 60.14 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.43 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.6 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 62.02 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.33 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 64.14 108.844 -177.684 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 54.33 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 71.54 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.6 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 72.02 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 71.45 108.732 -177.165 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 111.934 0.346 . . . . 64.44 111.934 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 24' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 61.34 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 42.05 109.763 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 61.32 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 28' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 52.44 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 55.44 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.734 -0.469 . . . . 72.12 109.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 73.13 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.13 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 10' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 54.43 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 64.34 114.054 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 . . . . . 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 62.31 109.96 -175.524 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.443 0 N-CA-C 111.951 -0.46 . . . . 61.13 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 72.32 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 20' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 112.001 0.371 . . . . 73.15 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 44.41 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.441 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.244 0.783 0 N-CA-C 110.387 -0.227 . . . . 44.15 110.387 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.441 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -100.63 137.28 39.24 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.732 -0.84 . . . . 70.33 108.732 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 88.5 mt -88.07 98.39 11.5 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.724 -0.843 . . . . 65.22 108.724 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -76.77 155.98 82.91 Favored Pre-proline 0 C--O 1.262 1.727 0 CA-C-N 115.905 -0.589 . . . . 71.32 110.842 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.558 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 51.6 Cg_endo -68.5 175.45 6.98 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.549 2.166 . . . . 73.33 111.565 177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.456 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.8 m -89.03 -153.6 0.27 Allowed 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 107.747 -1.205 . . . . 72.23 107.747 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 70.24 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.2 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 32.14 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 45.42 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 55.34 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -57.93 146.34 32.59 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 71.22 111.304 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.433 ' HB2' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.51 -12.94 82.41 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 53.1 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 44.05 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m -147.69 140.7 24.98 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -54.92 -34.47 63.19 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.572 1.149 . . . . 63.44 111.87 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.63 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.34 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 73.23 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 67.1 t30 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 64.12 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.674 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.674 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.641 -0.133 . . . . 54.21 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -113.22 112.05 23.1 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 107.938 -1.134 . . . . 72.31 107.938 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.42 121.6 30.99 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.71 -0.848 . . . . 71.2 108.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.577 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 34.6 m -67.66 148.16 98.59 Favored Pre-proline 0 C--N 1.305 -1.331 0 CA-C-N 116.223 -0.444 . . . . 72.45 110.258 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.547 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 48.4 Cg_endo -66.11 168.89 14.65 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.133 1.888 . . . . 73.42 111.345 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.488 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 14.1 m -84.59 -156.02 0.22 Allowed 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.835 -0.621 . . . . 71.41 110.683 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HA ' ' P' 1033 ' ' GXL . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 63.31 112.963 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.33 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.878 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 64.54 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.565 HG22 ' HA ' ' P' ' 17' ' ' HYP . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -91.92 132.22 36.66 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.565 ' HA ' HG22 ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -23.0 76.09 Favored Glycine 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 60.11 110.695 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 63.22 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.878 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.41 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.445 ' HA ' HD23 ' P' ' 22' ' ' HYP . 83.3 m -129.4 135.11 48.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.445 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m -55.88 -43.73 77.48 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.784 -0.644 . . . . 30.01 112.416 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 42.42 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 72.14 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 54.13 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 40.12 110.569 178.398 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.635 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P 1032 ' ' NDG . . . . . 0.434 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.434 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.635 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.449 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.639 0 N-CA-C 110.068 -0.345 . . . . 75.32 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.449 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 46.5 p90 -100.85 -177.92 3.61 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.964 -1.124 . . . . 64.14 107.964 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.65 93.37 7.34 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 119.782 -0.767 . . . . 45.41 109.07 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.499 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 21.4 m -73.1 161.13 80.82 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 115.293 -0.867 . . . . 72.22 108.685 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 56.6 Cg_endo -70.8 167.48 25.67 Favored 'Trans proline' 0 N--CA 1.437 -1.801 0 C-N-CA 121.208 1.272 . . . . 73.13 110.887 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -85.8 -160.07 0.5 Allowed 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 70.22 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 44.42 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 73.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -105.69 144.57 32.25 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 60.34 109.653 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.92 -20.5 70.68 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 111.205 -0.758 . . . . 50.01 111.205 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.458 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -149.93 157.31 43.04 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -57.53 -35.22 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.108 0.963 . . . . 54.55 109.38 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 63.12 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 53.34 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 45.1 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 34.43 111.536 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.672 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.672 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.645 0 N-CA-C 109.293 -0.632 . . . . 64.24 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.496 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -118.97 141.64 48.49 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 109.426 -0.583 . . . . 73.33 109.426 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.54 105.65 15.52 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.044 -0.725 . . . . 53.11 109.044 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.415 HG23 ' H14' ' P' 1031 ' ' A2G . 29.4 m -90.81 131.11 38.46 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 112.875 0.694 . . . . 73.31 112.875 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.416 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 58.1 Cg_endo -72.82 175.99 9.57 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.516 2.144 . . . . 64.4 111.576 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -96.92 -150.59 0.34 Allowed 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.84 -0.8 . . . . 44.4 108.84 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.12 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 60.21 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 53.34 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 72.33 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 63.41 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -116.81 145.63 43.4 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 60.41 109.502 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.82 75.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.408 -0.901 . . . . 74.03 111.684 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 64.12 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.45 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 72.23 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -139.62 142.73 37.03 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -57.15 -42.78 81.67 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 123.867 0.867 . . . . 73.54 112.548 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 54.51 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.524 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.524 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.856 -0.794 . . . . 41.44 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 3' ' ' TRP . . . . . 0.434 ' HD1' HG22 ' P' ' 5' ' ' VAL . 65.6 t-105 -91.7 130.91 37.41 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.856 -1.066 . . . . 74.43 109.309 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.47 90.92 8.37 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.64 -1.244 . . . . 72.24 107.64 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' P' ' 3' ' ' TRP . 7.8 t -65.74 125.86 90.59 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 115.255 -0.884 . . . . 60.22 110.072 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.549 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 52.0 Cg_endo -68.23 175.2 7.02 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.52 2.814 . . . . 60.04 111.785 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.548 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.0 m -84.23 -155.61 0.2 Allowed 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.386 -0.825 . . . . 34.14 108.872 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 71.34 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.692 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 72.52 108.398 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 50.24 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -81.16 136.13 35.85 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.74 -12.36 66.7 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 53.24 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.692 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.23 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m -128.4 138.81 52.51 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -55.81 -31.06 62.33 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.308 0.643 . . . . 64.42 111.959 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 70.33 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 62.24 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.605 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.605 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.656 0 CA-C-O 120.652 0.263 . . . . 62.2 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.448 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -99.35 124.92 44.87 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.639 -1.245 . . . . 74.14 107.639 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 4' ' ' LEU . . . . . 0.509 ' CD1' ' H4 ' ' P' 1031 ' ' A2G . 2.0 tm? -108.42 104.94 14.4 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.037 -1.468 . . . . 72.44 107.037 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 34.6 m -67.92 159.13 81.07 Favored Pre-proline 0 C--O 1.249 1.051 0 CA-C-N 115.549 -0.751 . . . . 63.53 111.616 -178.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 39.6 Cg_endo -68.24 174.97 7.31 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.49 2.126 . . . . 51.34 111.436 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -88.36 -155.34 0.32 Allowed 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 73.34 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.908 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 51.34 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -43.47 128.51 5.02 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.98 -1.46 88.79 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 44.31 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.908 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 64.34 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.404 ' HA ' HD23 ' P' ' 22' ' ' HYP . 76.7 m -132.66 140.4 48.15 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.404 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -56.63 -34.63 67.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.644 -0.707 . . . . 73.11 112.548 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 29' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 43.05 110.249 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.509 ' H4 ' ' CD1' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P 1034 ' ' GAL . . . . . 0.41 ' O3 ' ' C1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.41 ' C1 ' ' O3 ' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 CA-C-O 120.69 0.281 . . . . 63.33 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -98.4 114.92 27.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.652 -0.499 . . . . 73.4 109.652 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -82.95 136.51 34.52 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.354 -0.839 . . . . 73.41 108.899 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.504 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 9.4 t -102.13 122.01 48.42 Favored Pre-proline 0 C--N 1.301 -1.53 0 C-N-CA 119.485 -0.886 . . . . 74.41 111.446 -173.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.572 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 85.3 Cg_endo -77.11 174.37 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.309 3.339 . . . . 74.24 111.022 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.501 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.2 m -94.35 -153.34 0.37 Allowed 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 54.21 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.44 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 53.21 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 61.52 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 73.21 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 52.31 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 65.24 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 16' ' ' ASN . . . . . 0.501 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 -95.61 124.25 39.55 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.77 6.56 82.88 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.439 -0.886 . . . . 50.34 111.434 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 71.31 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 64.21 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.404 ' HA ' HD23 ' P' ' 22' ' ' HYP . 11.0 p -146.36 157.4 43.78 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.404 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -59.55 -34.94 73.31 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 124.608 1.163 . . . . 65.14 111.236 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 53.55 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 63.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.572 ' H5 ' ' C ' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.566 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 N-CA-C 110.036 -0.357 . . . . 73.42 110.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -77.73 137.21 38.36 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.355 -0.609 . . . . 75.02 109.355 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.35 87.05 5.03 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.535 0.683 . . . . 75.3 110.446 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -79.11 137.09 56.93 Favored Pre-proline 0 C--O 1.251 1.172 0 CA-C-N 114.913 -1.039 . . . . 71.32 112.298 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.479 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 87.3 Cg_endo -78.74 -170.05 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.405 2.07 . . . . 70.4 109.172 172.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.5 m -93.13 -165.87 1.42 Allowed 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.898 -0.501 . . . . 75.32 110.085 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 74.02 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 52.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 62.14 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 62.32 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 16' ' ' ASN . . . . . 0.523 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 -110.11 136.21 49.7 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 71.12 110.486 -175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.58 -1.58 80.49 Favored Glycine 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.1 111.446 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.653 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m -142.5 135.08 28.01 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 63.23 106.471 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.465 HD22 ' CG ' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -54.81 -35.72 64.19 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.597 0.759 . . . . 52.41 112.107 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 51.34 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 25' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 61.23 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 50.41 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 63.51 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.503 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P 1032 ' ' NDG . . . . . 0.541 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.541 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.503 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.235 0.337 0 N-CA-C 109.73 -0.471 . . . . 62.32 109.73 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.4 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -72.42 130.44 40.71 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.022 -0.99 . . . . 53.33 108.895 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.35 102.37 9.53 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.622 -1.622 . . . . 61.41 106.622 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.561 HG23 ' H14' ' P' 1031 ' ' A2G . 31.3 m -81.29 130.98 60.22 Favored Pre-proline 0 C--N 1.293 -1.883 0 C-N-CA 120.302 -0.559 . . . . 75.24 111.382 -175.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.525 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 56.7 Cg_endo -73.38 -177.32 2.95 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 121.936 1.758 . . . . 73.02 109.097 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -92.97 -163.5 1.06 Allowed 'General case' 0 C--N 1.272 -2.763 0 N-CA-C 109.026 -0.731 . . . . 74.2 109.026 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 73.35 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 73.34 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 71.34 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 71.04 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 60.24 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -101.83 141.94 33.91 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 71.53 110.089 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.66 76.97 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.739 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 70.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m -135.97 133.25 37.35 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m -56.4 -29.61 61.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.773 0.829 . . . . 64.12 113.099 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 64.24 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 72.34 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 29' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.561 ' H14' HG23 ' P' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.513 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.455 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 109.882 -0.414 . . . . 61.43 109.882 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.455 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -82.09 127.3 32.98 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.572 -1.27 . . . . 74.31 107.572 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.25 92.34 4.48 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.797 -1.186 . . . . 64.2 107.797 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -72.07 137.74 81.97 Favored Pre-proline 0 C--O 1.25 1.125 0 CA-C-N 115.03 -0.986 . . . . 72.01 112.673 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.401 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 55.5 Cg_endo -70.51 -175.61 1.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.696 2.264 . . . . 72.1 111.273 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.406 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 12.2 m -83.84 -159.23 0.36 Allowed 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 122.86 0.464 . . . . 72.2 110.388 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' P' 1033 ' ' GXL . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 64.11 109.886 177.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 63.54 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 62.42 107.317 175.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 55.45 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 73.4 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 70.54 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 71.14 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -122.92 131.83 53.9 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 54.23 109.706 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.627 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.03 -6.22 59.94 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.092 -0.575 . . . . 53.5 112.722 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.474 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m -130.6 148.92 52.45 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 61.45 109.146 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -54.84 -35.96 64.53 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.901 0.88 . . . . 65.44 112.882 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 52.14 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 43.24 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 64.22 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 64.52 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.595 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.477 ' HA ' ' NE2' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.595 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.859 -0.423 . . . . 64.21 109.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -102.23 115.27 30.2 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 115.992 -0.549 . . . . 74.34 109.671 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.69 103.21 5.69 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.242 -0.89 . . . . 71.31 110.04 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.97 131.4 48.98 Favored Pre-proline 0 C--O 1.252 1.223 0 CA-C-N 115.123 -0.944 . . . . 53.53 112.746 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.59 -167.46 0.5 Allowed 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.142 1.895 . . . . 63.22 110.176 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -99.62 -157.1 0.58 Allowed 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 108.183 -1.043 . . . . 63.21 108.183 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 73.32 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 70.02 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 71.04 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 73.53 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 51.51 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -142.62 146.25 34.33 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 72.31 109.462 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.53 -1.54 80.67 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 44.32 110.874 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -173.11 146.4 1.46 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -54.88 -35.63 64.27 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 125.106 1.362 . . . . 71.11 111.048 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 61.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 62.43 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 50.45 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 70.52 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 60.14 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.511 ' O3 ' ' H5 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P 1032 ' ' NDG . . . . . 0.525 H8C1 ' H2 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.511 ' H5 ' ' O3 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 110.382 -0.229 . . . . 53.32 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -101.82 108.89 20.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.726 -1.213 . . . . 74.21 107.726 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.4 101.63 12.15 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.956 -0.757 . . . . 73.32 108.956 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.57 132.35 95.37 Favored Pre-proline 0 C--O 1.26 1.618 0 CA-C-N 115.456 -0.793 . . . . 52.44 109.913 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.43 179.27 4.72 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.813 1.675 . . . . 74.11 111.492 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.553 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -75.2 -173.11 1.91 Allowed 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.635 -0.711 . . . . 75.21 109.485 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' P' ' 17' ' ' HYP . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 71.42 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 73.21 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -124.77 143.51 50.75 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.453 ' HA ' ' O ' ' P' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.69 -12.82 79.41 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 24.44 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.446 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.72 149.62 11.35 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -61.85 -23.31 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.082 0.553 . . . . 64.23 109.964 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 61.2 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 54.12 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 54.41 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 65.24 110.782 -179.546 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.66 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.66 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.831 -0.433 . . . . 72.11 109.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -89.53 105.84 18.06 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.119 -0.697 . . . . 73.23 109.119 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.01 126.29 31.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.732 -1.21 . . . . 45.32 107.732 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.45 145.83 40.63 Favored Pre-proline 0 C--N 1.292 -1.929 0 N-CA-C 112.348 0.499 . . . . 41.04 112.348 -173.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.492 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 63.2 Cg_endo -74.28 178.91 6.37 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.182 1.921 . . . . 75.12 109.944 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.42 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.8 m -87.76 -164.48 1.11 Allowed 'General case' 0 C--N 1.283 -2.29 0 O-C-N 122.303 -0.248 . . . . 73.44 110.999 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 0.551 ' HB3' ' O2 ' ' P' 1033 ' ' GXL . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.22 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.456 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 63.22 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 73.13 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -129.21 147.17 51.03 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.43 -24.15 70.65 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 71.4 111.155 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.456 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -160.69 144.53 13.65 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -56.12 -35.55 67.21 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.117 0.967 . . . . 64.32 111.682 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 29' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.548 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.551 ' O2 ' ' HB3' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.548 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 N-CA-C 109.423 -0.584 . . . . 45.43 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -67.69 127.98 34.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.976 -1.12 . . . . 74.32 107.976 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -84.93 119.46 25.39 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.447 -0.946 . . . . 73.34 108.447 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.04 155.36 38.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-O 121.003 0.43 . . . . 63.32 111.892 -173.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.473 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 59.9 Cg_endo -76.83 -168.04 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.302 2.001 . . . . 62.12 109.184 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -88.56 -166.89 1.71 Allowed 'General case' 0 C--N 1.284 -2.253 0 O-C-N 121.487 -0.758 . . . . 53.3 111.754 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 8' ' ' GLN . . . . . 0.752 ' OE1' ' HA ' ' P' 1033 ' ' GXL . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 53.31 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 72.13 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -130.82 148.38 52.59 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 71.13 108.382 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.35 -18.86 75.37 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.494 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m -126.89 141.52 51.79 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.403 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -50.5 -45.42 56.48 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 125.315 1.446 . . . . 74.11 110.824 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 25' ' ' MET . . . . . 0.403 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 74.42 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.866 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.752 ' HA ' ' OE1' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.866 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 110.608 -0.145 . . . . 71.14 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.447 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -108.12 117.73 34.91 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 115.745 -0.662 . . . . 75.23 109.564 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.38 105.05 12.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.601 -0.889 . . . . 74.45 108.601 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.43 157.79 84.2 Favored Pre-proline 0 C--N 1.302 -1.468 0 CA-C-N 115.458 -0.792 . . . . 62.52 110.539 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.505 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 38.5 Cg_endo -68.4 176.97 5.04 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.321 2.014 . . . . 74.45 110.889 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.45 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 2.2 m -88.3 -160.66 0.66 Allowed 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.314 -0.624 . . . . 23.14 109.314 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 70.13 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 72.22 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 63.24 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 71.41 107.853 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 52.33 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 72.34 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 71.43 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -125.58 152.9 44.48 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 62.33 109.616 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.8 -8.39 84.5 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 70.2 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 73.41 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -140.1 127.11 20.86 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.472 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -54.72 -34.7 62.8 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 63.34 111.854 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 73.52 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 25' ' ' MET . . . . . 0.472 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 63.33 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 71.12 111.037 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.616 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.616 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 110.04 -0.356 . . . . 74.43 110.04 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -98.46 135.75 39.58 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.685 -0.857 . . . . 72.32 108.685 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.9 88.99 4.09 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.288 -1.004 . . . . 72.54 108.288 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 5' ' ' VAL . . . . . 0.465 HG23 ' H14' ' P' 1031 ' ' A2G . 27.6 m -68.15 138.81 92.31 Favored Pre-proline 0 C--N 1.303 -1.455 0 CA-C-N 114.56 -1.2 . . . . 71.43 112.969 -174.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.565 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 60.5 Cg_endo -74.71 176.5 9.72 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.343 2.029 . . . . 75.43 110.018 173.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.584 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 7.4 m -80.33 -174.81 4.78 Favored 'General case' 0 C--N 1.281 -2.372 0 N-CA-C 109.928 -0.397 . . . . 53.12 109.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 52.44 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.12 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 65.34 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 72.44 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 43.41 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 15' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 63.34 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -118.95 141.02 49.03 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.417 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.32 -27.68 73.64 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -139.0 148.82 43.94 Favored 'General case' 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -59.18 -29.39 67.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.286 0.634 . . . . 52.12 111.398 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 53.52 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 44.23 111.767 178.023 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.584 ' H5 ' ' N ' ' P' ' 7' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 N-CA-C 110.554 -0.165 . . . . 64.24 110.554 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -94.36 119.95 33.88 Favored 'General case' 0 N--CA 1.421 -1.925 0 N-CA-C 106.839 -1.541 . . . . 73.22 106.839 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.84 101.62 10.31 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.737 -0.468 . . . . 34.04 109.737 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.0 m -78.25 132.64 65.9 Favored Pre-proline 0 C--N 1.302 -1.458 0 CA-C-N 115.844 -0.616 . . . . 62.52 109.983 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.445 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 62.5 Cg_endo -74.29 -174.34 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.985 1.79 . . . . 73.11 110.6 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.516 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 1.5 m -80.85 -159.0 0.22 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.667 -0.864 . . . . 74.14 108.667 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 64.0 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.431 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 72.44 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.13 106.839 173.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 52.44 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 15' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 62.02 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 16' ' ' ASN . . . . . 0.41 ' HA ' HD23 ' P' ' 17' ' ' HYP . 79.8 m-20 -120.36 139.48 52.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.588 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.67 -15.43 77.79 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 31.33 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.431 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m -142.28 119.26 11.29 Favored 'General case' 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -46.77 -39.33 11.56 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.893 1.277 . . . . 63.42 112.773 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 72.31 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 62.21 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 62.21 109.915 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.658 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.658 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 N-CA-C 110.184 -0.302 . . . . 74.41 110.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -93.36 123.19 36.48 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.133 -1.062 . . . . 74.23 108.133 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 4' ' ' LEU . . . . . 0.487 ' HB3' ' O6 ' ' P' 1034 ' ' GAL . 3.9 mm? -71.26 103.78 2.93 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.972 -0.751 . . . . 74.21 108.972 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.4 137.28 39.38 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 115.274 -0.875 . . . . 44.53 112.17 -173.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.919 ' HG3' ' HB3' ' P' ' 17' ' ' HYP . 71.1 Cg_endo -71.07 172.31 14.16 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.699 2.266 . . . . 73.2 112.155 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -86.39 -155.63 0.26 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.341 -0.845 . . . . 64.0 109.544 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.11 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 64.44 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.528 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 72.1 107.98 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.2 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 13' ' ' CYS . . . . . 0.527 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 15' ' ' TYR . . . . . 0.527 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 73.11 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 -97.31 145.16 26.38 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.919 ' HB3' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.31 65.02 Favored Glycine 0 CA--C 1.498 -0.998 0 C-N-CA 120.587 -0.816 . . . . 61.15 111.274 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 61.23 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.528 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.73 153.5 31.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 53.31 104.679 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.578 ' O ' ' HG3' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -62.75 -28.68 70.14 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 122.958 0.503 . . . . 74.02 109.752 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 25' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' P' ' 22' ' ' HYP . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 71.51 111.17 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.749 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P 1034 ' ' GAL . . . . . 0.487 ' O6 ' ' HB3' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.749 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.302 -0.258 . . . . 73.23 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 2' ' ' HYP . . . . . 0.47 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -109.36 128.4 55.09 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 108.12 -1.067 . . . . 74.41 108.12 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 4' ' ' LEU . . . . . 0.717 ' HB2' ' H62' ' P' 1034 ' ' GAL . 2.1 pt? -87.29 99.05 11.68 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.836 0.827 . . . . 72.03 110.284 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 m -75.08 138.88 72.41 Favored Pre-proline 0 C--N 1.307 -1.243 0 CA-C-N 115.334 -0.848 . . . . 71.2 112.321 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.58 -173.57 1.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.545 2.164 . . . . 62.3 111.505 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -89.41 -159.97 0.63 Allowed 'General case' 0 C--N 1.289 -2.031 0 C-N-CA 124.025 0.93 . . . . 52.32 111.258 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 60.14 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.43 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.6 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 62.02 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.33 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -116.22 142.18 47.17 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 64.14 108.844 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 17' ' ' HYP . . . . . 0.505 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.22 -19.97 74.59 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 54.33 110.992 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 71.54 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.6 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 72.02 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m -136.0 147.67 48.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 71.45 108.732 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 22' ' ' HYP . . . . . 0.613 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m -54.78 -43.75 73.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.797 -1.092 . . . . 64.44 111.934 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 24' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 61.34 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 25' ' ' MET . . . . . 0.613 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 42.05 109.763 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 61.32 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 28' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 52.44 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 55.44 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.794 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P 1032 ' ' NDG . . . . . 0.652 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P 1033 ' ' GXL . . . . . 0.652 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P 1034 ' ' GAL . . . . . 0.717 ' H62' ' HB2' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.794 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.945 -0.391 . . . . 64.2 109.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -118.94 136.74 53.92 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.045 -0.724 . . . . 72.24 109.045 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 4' ' ' LEU . . . . . 0.596 ' H ' HD23 ' P' ' 4' ' ' LEU . 1.8 pt? -78.69 95.38 5.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.391 -1.337 . . . . 33.21 107.391 171.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.1 127.39 91.62 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 115.165 1.543 . . . . 73.35 115.165 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 6' ' ' PRO . . . . . 0.515 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 90.9 Cg_endo -81.94 175.23 9.46 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 122.803 2.335 . . . . 65.42 109.933 174.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 7' ' ' SER . . . . . 0.428 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -88.18 -161.31 0.71 Allowed 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 109.734 -0.469 . . . . 72.12 109.734 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 73.13 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.13 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 10' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 54.43 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 64.34 114.054 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -103.17 142.18 34.59 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 62.31 109.96 -175.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.84 -2.29 81.58 Favored Glycine 0 C--O 1.239 0.443 0 C-N-CA 120.281 -0.962 . . . . 61.13 111.951 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 72.32 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 20' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m -139.65 140.61 36.97 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -57.48 -40.78 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.97 -1.014 . . . . 73.15 112.001 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 44.41 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P 1031 ' ' A2G . . . . . 0.602 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P 1035 ' ' GXL . . . . . 0.602 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.44 -0.955 0 N-CA-C 107.747 -1.205 . . . . 72.23 107.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 70.24 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.2 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 32.14 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 45.42 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 55.34 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 71.22 111.304 178.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 53.1 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 44.05 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m . . . . . 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 121.454 0.645 . . . . 63.44 111.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.63 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.34 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 73.23 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 2.7 t-20 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 64.12 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.247 0.933 0 CA-C-O 119.691 -0.195 . . . . 71.41 110.683 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 63.31 112.963 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.33 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.878 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 64.54 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 60.11 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 63.22 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.878 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.41 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 83.3 m . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.219 -0.513 0 N-CA-C 112.416 0.524 . . . . 30.01 112.416 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 42.42 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 72.14 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 54.13 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 40.12 110.569 178.398 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.436 -1.128 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 70.22 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 44.42 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 73.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 60.34 109.653 -177.357 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 N-CA-C 111.205 -0.758 . . . . 50.01 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.458 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.38 -0.6 . . . . 54.55 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 63.12 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 53.34 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 45.1 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 34.43 111.536 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 108.84 -0.8 . . . . 44.4 108.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.12 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 60.21 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 53.34 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 72.33 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 63.41 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 60.41 109.502 -176.203 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.061 0 N-CA-C 111.684 -0.567 . . . . 74.03 111.684 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 64.12 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.45 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 72.23 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.246 0.88 0 N-CA-C 112.548 0.573 . . . . 73.54 112.548 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 54.51 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.432 -1.325 0 N-CA-C 108.872 -0.788 . . . . 34.14 108.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 71.34 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.692 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 72.52 108.398 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 50.24 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 53.24 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.692 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.23 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.548 0.899 0 CA-C-O 120.945 0.402 . . . . 64.42 111.959 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 70.33 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 62.24 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 73.34 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.908 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 51.34 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 . . . . . 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 44.31 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.908 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 64.34 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 112.548 0.573 . . . . 73.11 112.548 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 43.05 110.249 179.723 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.441 -0.904 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 54.21 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.44 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 53.21 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 61.52 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 73.21 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 52.31 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 65.24 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . 0.501 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 . . . . . 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.49 0 N-CA-C 111.434 -0.666 . . . . 50.34 111.434 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 71.31 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 64.21 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.832 0.349 . . . . 65.14 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 53.55 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . 0.455 ' N ' HD22 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 63.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.085 -0.339 . . . . 75.32 110.085 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 74.02 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 52.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 62.14 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 62.32 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . 0.523 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 . . . . . 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 71.12 110.486 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.1 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . 0.653 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m . . . . . 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 63.23 106.471 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.107 0.41 . . . . 52.41 112.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 51.34 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 61.23 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 50.41 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 63.51 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.436 -1.148 0 N-CA-C 109.026 -0.731 . . . . 74.2 109.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 73.35 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 73.34 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 71.34 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 71.04 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 60.24 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 . . . . . 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 71.53 110.089 -175.041 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.739 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 70.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 113.099 0.777 . . . . 64.12 113.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 64.24 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 72.34 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.388 -0.227 . . . . 72.2 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . 0.413 ' CD ' ' H ' ' P' ' 8' ' ' GLN . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 64.11 109.886 177.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 63.54 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 62.42 107.317 175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 55.45 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 73.4 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 70.54 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 71.14 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 . . . . . 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 54.23 109.706 -177.381 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 CA-C-O 120.984 0.213 . . . . 53.5 112.722 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.474 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m . . . . . 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 61.45 109.146 -178.127 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 112.882 0.697 . . . . 65.44 112.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 52.14 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 43.24 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 64.22 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 64.52 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.431 -1.406 0 N-CA-C 108.183 -1.043 . . . . 63.21 108.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 73.32 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 70.02 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 71.04 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 73.53 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 51.51 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 . . . . . 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 72.31 109.462 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 44.32 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.242 0.682 0 CA-C-O 121.114 0.483 . . . . 71.11 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 61.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 62.43 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 50.45 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 70.52 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 60.14 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.485 -0.561 . . . . 75.21 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.446 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 71.42 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 73.21 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 . . . . . 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 24.44 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.446 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.212 0.529 . . . . 64.23 109.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 61.2 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 54.12 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 54.41 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 65.24 110.782 -179.546 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 120.343 0.116 . . . . 73.44 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.22 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.456 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 63.22 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 73.13 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 71.4 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.456 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 120.891 0.377 . . . . 64.32 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.437 -1.08 0 N-CA-C 111.754 0.279 . . . . 53.3 111.754 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 53.31 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 72.13 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 . . . . . 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 71.13 108.382 -178.773 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.494 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m . . . . . 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 110.824 -0.065 . . . . 74.11 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 74.42 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . 0.404 ' N ' HD22 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 109.314 -0.624 . . . . 23.14 109.314 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 70.13 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 72.22 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 63.24 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 71.41 107.853 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 52.33 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 72.34 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 71.43 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 . . . . . 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 62.33 109.616 -176.66 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 70.2 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 73.41 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 63.34 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 73.52 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 63.33 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 71.12 111.037 179.256 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.431 -1.39 0 N-CA-C 109.928 -0.397 . . . . 53.12 109.928 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 52.44 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.12 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 65.34 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 72.44 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 43.41 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 63.34 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 111.398 0.147 . . . . 52.12 111.398 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 53.52 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 44.23 111.767 178.023 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 108.667 -0.864 . . . . 74.14 108.667 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 64.0 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.431 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 72.44 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.13 106.839 173.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 52.44 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 62.02 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.046 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 31.33 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.431 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m . . . . . 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 112.773 0.657 . . . . 63.42 112.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 72.31 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 62.21 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 62.21 109.915 -176.265 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.421 -1.879 0 N-CA-C 109.544 -0.539 . . . . 64.0 109.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.11 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 64.44 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.528 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 72.1 107.98 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.2 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . 0.527 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . 0.527 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 73.11 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 . . . . . 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.998 0 N-CA-C 111.274 -0.731 . . . . 61.15 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 61.23 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.528 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 53.31 104.679 175.306 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.752 -0.462 . . . . 74.02 109.752 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 71.51 111.17 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.44 -0.93 0 N-CA-C 111.258 0.096 . . . . 52.32 111.258 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 60.14 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.43 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.6 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 62.02 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.33 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 64.14 108.844 -177.684 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 54.33 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 71.54 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.6 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 72.02 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 71.45 108.732 -177.165 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.444 -0.735 0 N-CA-C 111.934 0.346 . . . . 64.44 111.934 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 61.34 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 42.05 109.763 176.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 61.32 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 52.44 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 55.44 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.734 -0.469 . . . . 72.12 109.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 73.13 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.13 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 54.43 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 64.34 114.054 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 . . . . . 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 62.31 109.96 -175.524 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.443 0 N-CA-C 111.951 -0.46 . . . . 61.13 111.951 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 72.32 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 20' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m . . . . . 0 N--CA 1.442 -0.872 0 N-CA-C 112.001 0.371 . . . . 73.15 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 44.41 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.441 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.244 0.783 0 N-CA-C 110.387 -0.227 . . . . 44.15 110.387 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.441 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -100.63 137.28 39.24 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.732 -0.84 . . . . 70.33 108.732 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 88.5 mt -88.07 98.39 11.5 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.724 -0.843 . . . . 65.22 108.724 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.9 m -76.77 155.98 82.91 Favored Pre-proline 0 C--O 1.262 1.727 0 CA-C-N 115.905 -0.589 . . . . 71.32 110.842 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.558 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 51.6 Cg_endo -68.5 175.45 6.98 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.549 2.166 . . . . 73.33 111.565 177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.456 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.8 m -89.03 -153.6 0.27 Allowed 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 107.747 -1.205 . . . . 72.23 107.747 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -76.37 71.52 3.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.381 1.086 . . . . 70.24 111.526 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 mt -121.85 151.73 25.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 106.496 -1.668 . . . . 75.14 106.496 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' P' ' 20' ' ' MET . 2.9 m -97.56 147.87 23.84 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 108.411 -0.959 . . . . 74.2 108.411 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 160.43 16.88 Favored 'General case' 0 C--N 1.282 -2.341 0 N-CA-C 106.941 -1.503 . . . . 32.14 106.941 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HB2' ' P' ' 21' ' ' CYS . 42.6 t -76.43 83.75 3.16 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 119.541 -0.864 . . . . 45.42 109.335 172.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 m 68.0 11.05 8.2 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.639 0.776 . . . . 55.34 112.509 174.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.5 6.96 21.16 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 120.901 -0.666 . . . . 63.43 112.157 -175.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -84.29 -163.11 0.74 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.765 -0.458 . . . . 73.13 109.765 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -57.93 146.34 32.59 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.586 0.231 . . . . 71.22 111.304 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.433 ' HB2' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.51 -12.94 82.41 Favored Glycine 0 N--CA 1.439 -1.159 0 N-CA-C 111.053 -0.819 . . . . 74.34 111.053 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 44.6 p -109.12 137.64 46.7 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 108.61 -0.885 . . . . 53.1 108.61 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' P' ' 10' ' ' THR . 93.2 mtp -126.41 145.62 50.4 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 121.003 0.43 . . . . 44.05 110.741 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.51 ' HB2' ' HA ' ' P' ' 12' ' ' CYS . 80.4 m -147.69 140.7 24.98 Favored 'General case' 0 C--N 1.281 -2.398 0 CA-C-N 115.259 -0.882 . . . . 61.45 110.859 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -54.92 -34.47 63.19 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.572 1.149 . . . . 63.44 111.87 -177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.63 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 42.2 t -62.88 -22.61 66.84 Favored 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 123.611 0.764 . . . . 61.44 111.287 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -102.88 -5.85 23.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.053 0.454 . . . . 72.45 110.164 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 78.8 m -107.38 -50.89 3.0 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 116.132 -0.485 . . . . 64.34 111.931 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -119.41 6.79 11.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.378 0.608 . . . . 73.23 109.745 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . 0.63 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 2.7 t-20 63.46 9.89 4.47 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.648 1.579 . . . . 64.14 112.017 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 9.1 p -84.83 106.59 16.47 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.295 0.569 . . . . 64.12 111.436 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . 0.552 ' HB3' ' HB2' ' P' ' 24' ' ' CYS . 1.8 p . . . . . 0 N--CA 1.43 -1.445 0 CA-C-N 115.54 -0.754 . . . . 72.24 110.781 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.674 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.674 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.455 0 N-CA-C 110.641 -0.133 . . . . 54.21 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -113.22 112.05 23.1 Favored 'General case' 0 N--CA 1.419 -1.993 0 N-CA-C 107.938 -1.134 . . . . 72.31 107.938 173.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -88.42 121.6 30.99 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 108.71 -0.848 . . . . 71.2 108.71 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.577 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 34.6 m -67.66 148.16 98.59 Favored Pre-proline 0 C--N 1.305 -1.331 0 CA-C-N 116.223 -0.444 . . . . 72.45 110.258 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.547 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 48.4 Cg_endo -66.11 168.89 14.65 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.133 1.888 . . . . 73.42 111.345 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.488 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 14.1 m -84.59 -156.02 0.22 Allowed 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.835 -0.621 . . . . 71.41 110.683 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.419 ' HB3' ' HA ' ' P' 1033 ' ' GXL . 28.8 pt20 -74.01 67.22 1.26 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.888 1.328 . . . . 63.31 112.963 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.7 150.94 20.87 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.173 0 N-CA-C 106.188 -1.782 . . . . 74.33 106.188 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.878 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.0 m -112.69 153.26 27.96 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.572 -1.269 . . . . 64.54 107.572 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.565 HG22 ' HA ' ' P' ' 17' ' ' HYP . 31.1 p -87.8 167.44 13.81 Favored 'General case' 0 N--CA 1.424 -1.746 0 N-CA-C 107.249 -1.389 . . . . 71.42 107.249 171.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -82.99 96.18 8.25 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 109.019 -0.734 . . . . 73.21 109.019 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 56.1 m 66.25 25.82 10.5 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 123.953 0.783 . . . . 55.45 111.129 174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 25.47 56.97 Favored Glycine 0 N--CA 1.436 -1.312 0 CA-C-N 115.4 -0.818 . . . . 72.52 112.436 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -111.73 -96.83 0.42 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 113.527 0.936 . . . . 73.2 113.527 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -91.92 132.22 36.66 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.245 -0.65 . . . . 65.23 109.245 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.565 ' HA ' HG22 ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -23.0 76.09 Favored Glycine 0 C--O 1.216 -0.993 0 N-CA-C 110.695 -0.962 . . . . 60.11 110.695 177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.0 p -107.25 151.55 25.29 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 109.038 -0.726 . . . . 63.22 109.038 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.878 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 57.0 ttp -140.19 124.62 17.93 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.517 -0.919 . . . . 73.41 108.517 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.445 ' HA ' HD23 ' P' ' 22' ' ' HYP . 83.3 m -129.4 135.11 48.27 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 111.96 0.356 . . . . 72.03 111.96 -174.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.445 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 47.3 m -55.88 -43.73 77.48 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.784 -0.644 . . . . 30.01 112.416 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.73 -21.95 66.87 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 120.736 0.303 . . . . 42.42 111.655 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.7 mmm -83.18 -28.57 29.23 Favored 'General case' 0 C--N 1.314 -0.95 0 O-C-N 121.535 -0.728 . . . . 72.14 110.179 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 81.7 m -81.62 -42.15 20.44 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.699 -0.682 . . . . 73.1 111.176 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 33.5 p -84.64 -30.17 25.13 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 121.112 0.482 . . . . 72.14 110.202 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 82.46 -7.0 1.32 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.322 1.849 . . . . 54.13 110.053 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 28.0 m -118.26 121.98 41.8 Favored 'General case' 0 N--CA 1.428 -1.535 0 N-CA-C 108.242 -1.022 . . . . 65.05 108.242 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--N 1.307 -1.282 0 CA-C-O 121.084 0.469 . . . . 40.12 110.569 178.398 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.635 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . 0.434 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.434 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.635 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.449 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.639 0 N-CA-C 110.068 -0.345 . . . . 75.32 110.068 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.449 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 46.5 p90 -100.85 -177.92 3.61 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.964 -1.124 . . . . 64.14 107.964 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.65 93.37 7.34 Favored 'General case' 0 C--N 1.289 -2.043 0 C-N-CA 119.782 -0.767 . . . . 45.41 109.07 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.499 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 21.4 m -73.1 161.13 80.82 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-N 115.293 -0.867 . . . . 72.22 108.685 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 56.6 Cg_endo -70.8 167.48 25.67 Favored 'Trans proline' 0 N--CA 1.437 -1.801 0 C-N-CA 121.208 1.272 . . . . 73.13 110.887 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -85.8 -160.07 0.5 Allowed 'General case' 0 C--N 1.279 -2.498 0 N-CA-C 107.628 -1.249 . . . . 70.32 107.628 -178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -74.11 80.0 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 122.446 1.117 . . . . 74.02 110.238 173.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.8 mt -109.04 138.29 36.97 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 N-CA-C 107.432 -1.321 . . . . 70.22 107.432 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.458 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -81.58 144.21 31.43 Favored 'General case' 0 C--N 1.276 -2.628 0 N-CA-C 108.606 -0.887 . . . . 74.22 108.606 -177.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -103.55 148.06 26.43 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.938 -1.505 . . . . 44.42 106.938 176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 t -79.12 105.32 10.37 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.725 -1.213 . . . . 74.35 107.725 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 67.2 m 61.33 27.07 16.79 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.996 0.918 . . . . 73.23 112.374 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.66 6.16 77.24 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 121.13 -0.557 . . . . 64.32 113.299 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.77 -103.13 0.07 Allowed 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 117.407 0.603 . . . . 75.35 112.426 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -105.69 144.57 32.25 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.653 -0.499 . . . . 60.34 109.653 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.92 -20.5 70.68 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 111.205 -0.758 . . . . 50.01 111.205 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.9 p -110.13 139.3 45.41 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 107.921 -1.14 . . . . 74.24 107.921 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.458 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 0.7 OUTLIER -139.68 130.85 26.54 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 108.517 -0.92 . . . . 74.04 108.517 -176.355 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -149.93 157.31 43.04 Favored 'General case' 0 N--CA 1.425 -1.689 0 N-CA-C 107.488 -1.301 . . . . 73.43 107.488 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -57.53 -35.22 69.99 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 124.108 0.963 . . . . 54.55 109.38 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.509 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 44.5 t -60.24 -23.45 64.08 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.062 -0.972 . . . . 72.03 112.26 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 97.1 mmm -88.54 -4.94 58.49 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.647 0.736 . . . . 63.12 110.396 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m -106.85 -46.61 3.91 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.348 -0.842 . . . . 73.43 110.801 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 30.4 p -89.5 -11.59 42.49 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 121.164 0.507 . . . . 65.22 110.384 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.0 t30 66.15 18.28 10.94 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.602 1.161 . . . . 53.34 109.637 -178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -137.02 125.84 24.06 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 107.47 -1.307 . . . . 45.1 107.47 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 72.7 m . . . . . 0 C--N 1.304 -1.39 0 C-N-CA 120.612 -0.435 . . . . 34.43 111.536 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.672 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.672 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.645 0 N-CA-C 109.293 -0.632 . . . . 64.24 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.496 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -118.97 141.64 48.49 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 109.426 -0.583 . . . . 73.33 109.426 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.54 105.65 15.52 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.044 -0.725 . . . . 53.11 109.044 176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.415 HG23 ' H14' ' P' 1031 ' ' A2G . 29.4 m -90.81 131.11 38.46 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 112.875 0.694 . . . . 73.31 112.875 -175.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.416 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 58.1 Cg_endo -72.82 175.99 9.57 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.516 2.144 . . . . 64.4 111.576 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 2.7 m -96.92 -150.59 0.34 Allowed 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.84 -0.8 . . . . 44.4 108.84 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -67.79 101.59 1.09 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.706 0.765 . . . . 71.44 111.98 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.9 mt -134.66 147.16 29.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.255 0 N-CA-C 106.904 -1.517 . . . . 74.12 106.904 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.45 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 3.9 m -110.18 150.51 28.54 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.602 -1.259 . . . . 60.21 107.602 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 67.9 p -101.04 148.46 25.01 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.794 -0.817 . . . . 75.52 108.794 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 14.8 t -73.1 99.84 2.89 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.84 -0.8 . . . . 73.4 108.84 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 m 63.02 25.4 15.01 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.489 0.716 . . . . 53.34 112.023 173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.68 16.8 72.19 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 121.132 -0.556 . . . . 72.33 112.451 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -92.09 -88.65 0.2 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.352 0.596 . . . . 63.41 112.35 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -116.81 145.63 43.4 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.681 -0.69 . . . . 60.41 109.502 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.32 -7.82 75.75 Favored Glycine 0 N--CA 1.44 -1.061 0 C-N-CA 120.408 -0.901 . . . . 74.03 111.684 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -136.02 149.09 48.67 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 122.681 0.393 . . . . 64.12 110.133 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.45 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.7 tpt -128.11 139.42 52.51 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 122.978 0.511 . . . . 72.23 109.664 -178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 77.5 m -139.62 142.73 37.03 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 109.818 -0.438 . . . . 63.33 109.818 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -57.15 -42.78 81.67 Favored 'General case' 0 C--O 1.246 0.88 0 C-N-CA 123.867 0.867 . . . . 73.54 112.548 -175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.546 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 52.9 t -65.75 -25.19 67.17 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.066 0.46 . . . . 73.01 111.212 -177.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 96.1 mmm -81.84 -4.36 56.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.152 0.501 . . . . 75.33 110.616 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -112.11 -48.5 3.04 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 115.774 -0.648 . . . . 75.21 111.542 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -85.22 -16.75 39.24 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.629 0.252 . . . . 71.42 111.199 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.67 6.57 4.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.026 1.331 . . . . 74.4 110.669 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 87.6 m -124.9 119.98 30.35 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 108.683 -0.858 . . . . 54.51 108.683 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . 0.546 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 80.6 m . . . . . 0 C--O 1.254 1.337 0 CA-C-O 120.813 0.34 . . . . 62.53 110.86 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.524 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.524 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 108.856 -0.794 . . . . 41.44 108.856 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . 0.434 ' HD1' HG22 ' P' ' 5' ' ' VAL . 65.6 t-105 -91.7 130.91 37.41 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.856 -1.066 . . . . 74.43 109.309 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mp -86.47 90.92 8.37 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 107.64 -1.244 . . . . 72.24 107.64 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.434 HG22 ' HD1' ' P' ' 3' ' ' TRP . 7.8 t -65.74 125.86 90.59 Favored Pre-proline 0 C--O 1.251 1.132 0 CA-C-N 115.255 -0.884 . . . . 60.22 110.072 -176.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.549 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 52.0 Cg_endo -68.23 175.2 7.02 Favored 'Trans proline' 0 N--CA 1.448 -1.166 0 C-N-CA 123.52 2.814 . . . . 60.04 111.785 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.548 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.0 m -84.23 -155.61 0.2 Allowed 'General case' 0 C--N 1.286 -2.171 0 CA-C-N 115.386 -0.825 . . . . 34.14 108.872 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -75.34 81.61 2.43 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.475 1.131 . . . . 75.3 111.124 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 22.1 mt -117.04 155.83 18.49 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.822 0 N-CA-C 106.811 -1.551 . . . . 71.34 106.811 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.692 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.5 m -116.2 143.19 45.84 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 108.299 -1.0 . . . . 75.24 108.299 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 34.7 p -85.06 158.01 20.56 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 108.398 -0.964 . . . . 72.52 108.398 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t -79.6 89.33 5.11 Favored 'General case' 0 C--N 1.285 -2.205 0 N-CA-C 108.633 -0.877 . . . . 75.41 108.633 174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 81.5 m 66.9 26.72 9.16 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.917 -1.038 . . . . 50.24 112.613 176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.0 12.72 63.29 Favored Glycine 0 CA--C 1.503 -0.667 0 C-N-CA 121.039 -0.6 . . . . 75.45 112.43 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -102.68 -101.17 0.28 Allowed 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.638 0.607 . . . . 74.43 112.638 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -81.16 136.13 35.85 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.594 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.74 -12.36 66.7 Favored Glycine 0 N--CA 1.438 -1.22 0 N-CA-C 110.661 -0.976 . . . . 73.32 110.661 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 15.0 p -128.06 151.31 49.32 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.6 -0.518 . . . . 53.24 109.6 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.692 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 24.2 ttt -129.44 135.49 48.73 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 109.488 -0.56 . . . . 74.23 109.488 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 71.1 m -128.4 138.81 52.51 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.264 -1.013 . . . . 73.54 108.264 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 19.5 m -55.81 -31.06 62.33 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.308 0.643 . . . . 64.42 111.959 -177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.98 -16.43 63.88 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.931 0.492 . . . . 65.31 111.251 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 86.3 mmm -91.73 -13.72 31.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.908 0.385 . . . . 70.33 110.377 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 36.1 m -98.6 -50.34 4.3 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.885 -0.598 . . . . 62.24 110.726 -175.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -92.01 -8.49 45.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.039 0.447 . . . . 71.53 110.612 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m120 76.14 -2.69 2.69 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.092 1.357 . . . . 65.04 112.38 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 20.9 m -120.32 134.28 55.3 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.914 -0.773 . . . . 71.43 108.914 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 C--O 1.258 1.53 0 N-CA-C 110.233 -0.284 . . . . 64.42 110.233 178.724 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.605 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.605 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.656 0 CA-C-O 120.652 0.263 . . . . 62.2 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.448 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -99.35 124.92 44.87 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.639 -1.245 . . . . 74.14 107.639 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . 0.509 ' CD1' ' H4 ' ' P' 1031 ' ' A2G . 2.0 tm? -108.42 104.94 14.4 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.037 -1.468 . . . . 72.44 107.037 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.537 ' HB ' ' HD2' ' P' ' 6' ' ' PRO . 34.6 m -67.92 159.13 81.07 Favored Pre-proline 0 C--O 1.249 1.051 0 CA-C-N 115.549 -0.751 . . . . 63.53 111.616 -178.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' P' ' 5' ' ' VAL . 39.6 Cg_endo -68.24 174.97 7.31 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.49 2.126 . . . . 51.34 111.436 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -88.36 -155.34 0.32 Allowed 'General case' 0 C--N 1.283 -2.297 0 N-CA-C 109.367 -0.605 . . . . 74.1 109.367 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.83 80.65 0.2 Allowed 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 122.921 1.343 . . . . 73.34 110.748 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -132.16 141.43 45.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.957 0 N-CA-C 105.43 -2.063 . . . . 73.24 105.43 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.908 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 1.0 OUTLIER -100.29 134.46 43.19 Favored 'General case' 0 C--N 1.27 -2.888 0 N-CA-C 109.103 -0.703 . . . . 65.12 109.103 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 47.0 p -86.72 161.27 18.51 Favored 'General case' 0 C--N 1.269 -2.916 0 N-CA-C 107.138 -1.43 . . . . 75.0 107.138 174.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.0 t -82.81 89.2 6.77 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 108.222 -1.029 . . . . 55.35 108.222 173.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.4 m 62.15 32.49 17.36 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.856 -0.611 . . . . 51.34 112.557 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.49 8.21 71.12 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.68 -0.772 . . . . 72.12 112.662 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -97.09 -154.77 0.46 Allowed 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 109.434 -0.58 . . . . 75.43 109.434 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -43.47 128.51 5.02 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.878 1.271 . . . . 73.31 112.671 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.98 -1.46 88.79 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.544 -0.622 . . . . 73.2 111.544 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 26.3 p -124.79 145.23 49.85 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 108.852 -0.796 . . . . 44.31 108.852 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.908 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 23.6 ttt -129.88 128.92 43.19 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 110.041 -0.355 . . . . 64.34 110.041 -177.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.404 ' HA ' HD23 ' P' ' 22' ' ' HYP . 76.7 m -132.66 140.4 48.15 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.404 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -56.63 -34.63 67.47 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.644 -0.707 . . . . 73.11 112.548 -177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' P' ' 29' ' ' THR . 42.4 t -63.41 -22.56 66.96 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.125 0.488 . . . . 75.2 111.535 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 80.7 mmm -87.66 -25.84 23.31 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.381 0.61 . . . . 74.04 110.149 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 59.2 m -87.52 -49.25 7.32 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.62 -0.718 . . . . 72.0 111.708 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 67.9 p -83.7 -15.97 46.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 109.554 -0.536 . . . . 74.11 109.554 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 71.02 28.36 3.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 122.885 1.326 . . . . 72.15 108.729 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 25.7 m -149.27 134.87 18.61 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 108.126 -1.065 . . . . 73.22 108.126 177.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 C--O 1.264 1.861 0 CA-C-O 120.731 0.301 . . . . 43.05 110.249 179.723 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.509 ' H4 ' ' CD1' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . 0.41 ' O3 ' ' C1 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.41 ' C1 ' ' O3 ' ' P' 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.514 0 CA-C-O 120.69 0.281 . . . . 63.33 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -98.4 114.92 27.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 109.652 -0.499 . . . . 73.4 109.652 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -82.95 136.51 34.52 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.354 -0.839 . . . . 73.41 108.899 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.504 ' O ' ' H4 ' ' P' 1031 ' ' A2G . 9.4 t -102.13 122.01 48.42 Favored Pre-proline 0 C--N 1.301 -1.53 0 C-N-CA 119.485 -0.886 . . . . 74.41 111.446 -173.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.572 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 85.3 Cg_endo -77.11 174.37 12.93 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.309 3.339 . . . . 74.24 111.022 178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.501 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.2 m -94.35 -153.34 0.37 Allowed 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.671 -0.863 . . . . 74.2 108.671 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' P' ' 8' ' ' GLN . 13.8 pm0 -76.48 85.06 3.2 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 122.406 1.098 . . . . 71.43 108.514 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.11 144.18 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.031 0 N-CA-C 107.837 -1.172 . . . . 54.21 107.837 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -111.94 140.99 46.14 Favored 'General case' 0 C--N 1.27 -2.853 0 N-CA-C 107.872 -1.158 . . . . 71.44 107.872 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -106.3 139.55 40.63 Favored 'General case' 0 C--N 1.257 -3.449 0 N-CA-C 105.677 -1.972 . . . . 53.21 105.677 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -72.27 101.49 2.86 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 108.348 -0.982 . . . . 61.52 108.348 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 72.2 m 65.24 24.46 12.26 Favored 'General case' 0 C--O 1.244 0.789 0 C-N-CA 124.069 0.947 . . . . 73.21 111.735 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.29 3.74 78.32 Favored Glycine 0 N--CA 1.441 -0.978 0 CA-C-N 115.729 -0.669 . . . . 52.31 112.027 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -94.24 -89.07 0.23 Allowed 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 113.232 0.827 . . . . 65.24 113.232 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . 0.501 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 44.8 m-20 -95.61 124.25 39.55 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 114.971 -1.013 . . . . 70.54 110.251 -171.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.77 6.56 82.88 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.439 -0.886 . . . . 50.34 111.434 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 45.5 p -130.27 156.9 43.87 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.445 -0.946 . . . . 71.31 108.445 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 27.7 ttt -145.55 136.19 24.31 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 109.679 -0.489 . . . . 64.21 109.679 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.404 ' HA ' HD23 ' P' ' 22' ' ' HYP . 11.0 p -146.36 157.4 43.78 Favored 'General case' 0 N--CA 1.417 -2.12 0 N-CA-C 108.538 -0.912 . . . . 43.11 108.538 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.404 HD23 ' HA ' ' P' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 9.5 m -59.55 -34.94 73.31 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 124.608 1.163 . . . . 65.14 111.236 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -62.4 -30.46 71.22 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.374 -0.375 . . . . 53.55 111.037 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -79.71 -6.78 57.9 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.637 0.732 . . . . 75.31 110.977 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.1 m -98.47 -58.6 1.92 Allowed 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.149 -0.932 . . . . 72.15 110.406 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.2 p -79.71 -21.93 44.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.486 -0.325 . . . . 75.01 111.812 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . 0.455 ' N ' HD22 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 72.73 30.68 1.76 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.191 0.996 . . . . 62.25 109.117 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 16.0 m -141.38 115.32 9.19 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.843 -1.071 . . . . 63.24 108.631 174.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.264 1.851 0 C-N-CA 120.752 -0.379 . . . . 73.11 110.597 175.535 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.572 ' H5 ' ' C ' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.566 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 N-CA-C 110.036 -0.357 . . . . 73.42 110.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -77.73 137.21 38.36 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 109.355 -0.609 . . . . 75.02 109.355 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -79.35 87.05 5.03 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.535 0.683 . . . . 75.3 110.446 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 m -79.11 137.09 56.93 Favored Pre-proline 0 C--O 1.251 1.172 0 CA-C-N 114.913 -1.039 . . . . 71.32 112.298 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.479 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 87.3 Cg_endo -78.74 -170.05 0.91 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.405 2.07 . . . . 70.4 109.172 172.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.5 m -93.13 -165.87 1.42 Allowed 'General case' 0 C--N 1.286 -2.183 0 O-C-N 121.898 -0.501 . . . . 75.32 110.085 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -75.94 83.66 2.85 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.255 1.026 . . . . 73.23 111.046 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mt -112.92 147.73 16.38 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 107.032 -1.469 . . . . 74.02 107.032 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -66.04 144.61 56.62 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 123.651 0.594 . . . . 73.3 109.661 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 64.5 p -118.06 146.23 44.24 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 109.696 -0.483 . . . . 52.12 109.696 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 18.2 t -75.2 98.73 3.81 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.55 -0.907 . . . . 54.53 108.55 174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 22.4 m 63.24 26.78 15.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.531 0.732 . . . . 62.14 111.207 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.47 12.37 81.97 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 120.909 -0.662 . . . . 71.11 112.836 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -92.93 -83.59 0.31 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.053 0.76 . . . . 62.32 113.053 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . 0.523 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 43.2 m-80 -110.11 136.21 49.7 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.416 -0.811 . . . . 71.12 110.486 -175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.58 -1.58 80.49 Favored Glycine 0 N--CA 1.439 -1.125 0 N-CA-C 111.446 -0.661 . . . . 64.1 111.446 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 38.4 p -124.49 160.1 29.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.987 -1.116 . . . . 73.23 107.987 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -143.52 124.7 14.53 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.259 -0.576 . . . . 73.22 109.851 -177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.653 ' HB3' ' SD ' ' P' ' 25' ' ' MET . 58.9 m -142.5 135.08 28.01 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.471 -1.678 . . . . 63.23 106.471 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.465 HD22 ' CG ' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -54.81 -35.72 64.19 Favored 'General case' 0 C--N 1.311 -1.079 0 C-N-CA 123.597 0.759 . . . . 52.41 112.107 -176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.85 -26.05 67.9 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.366 0.506 . . . . 51.34 112.366 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . 0.653 ' SD ' ' HB3' ' P' ' 21' ' ' CYS . 4.1 ppp? -92.75 -11.52 33.67 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 119.444 -0.902 . . . . 61.23 111.721 176.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.2 m -83.39 -45.79 13.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.664 -0.698 . . . . 50.41 109.427 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 32.0 p -90.89 -24.81 20.1 Favored 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.864 -0.607 . . . . 63.51 110.709 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 72.38 30.01 2.06 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 123.174 1.464 . . . . 63.32 108.639 -175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 32.5 m -145.68 118.42 8.66 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.694 -1.139 . . . . 73.43 108.908 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.255 1.349 0 CA-C-O 120.785 0.326 . . . . 64.55 110.767 178.116 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.503 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . 0.541 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.541 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.503 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.4 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.235 0.337 0 N-CA-C 109.73 -0.471 . . . . 62.32 109.73 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.4 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -72.42 130.44 40.71 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.022 -0.99 . . . . 53.33 108.895 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.35 102.37 9.53 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.622 -1.622 . . . . 61.41 106.622 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.561 HG23 ' H14' ' P' 1031 ' ' A2G . 31.3 m -81.29 130.98 60.22 Favored Pre-proline 0 C--N 1.293 -1.883 0 C-N-CA 120.302 -0.559 . . . . 75.24 111.382 -175.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.525 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 56.7 Cg_endo -73.38 -177.32 2.95 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 121.936 1.758 . . . . 73.02 109.097 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -92.97 -163.5 1.06 Allowed 'General case' 0 C--N 1.272 -2.763 0 N-CA-C 109.026 -0.731 . . . . 74.2 109.026 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.68 89.99 1.03 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-O 122.189 0.995 . . . . 73.35 110.675 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 20.1 mt -136.22 146.83 28.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 107.328 -1.36 . . . . 73.34 107.328 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.739 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.7 m -99.05 141.9 31.22 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.078 -1.082 . . . . 75.32 108.078 177.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -90.5 154.81 19.36 Favored 'General case' 0 C--N 1.275 -2.652 0 N-CA-C 107.901 -1.148 . . . . 71.34 107.901 175.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 33.1 t -76.05 99.78 4.72 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.406 -0.961 . . . . 71.04 108.406 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 71.4 m 63.44 26.75 15.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.172 0.589 . . . . 60.24 112.212 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.88 8.72 78.97 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.959 -0.639 . . . . 75.53 113.006 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -97.13 -94.9 0.21 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 120.417 -0.513 . . . . 73.42 112.33 -176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -101.83 141.94 33.91 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.902 -0.59 . . . . 71.53 110.089 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.83 -17.66 76.97 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 111.144 -0.783 . . . . 73.22 111.144 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -126.0 150.64 47.91 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 108.466 -0.939 . . . . 73.2 108.466 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.739 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 45.8 ttm -133.85 127.1 31.89 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.9 -0.778 . . . . 70.13 108.9 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 61.2 m -135.97 133.25 37.35 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 119.408 -0.33 . . . . 73.14 110.135 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 24.2 m -56.4 -29.61 61.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.773 0.829 . . . . 64.12 113.099 -176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' P' ' 29' ' ' THR . 45.6 t -68.81 -18.98 64.26 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.028 0.442 . . . . 64.11 111.175 178.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 91.5 mmm -92.84 -6.26 49.21 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.608 0.718 . . . . 64.24 110.013 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.75 -59.05 1.89 Allowed 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.331 -0.849 . . . . 72.34 110.96 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -91.94 -2.75 56.61 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 111.758 0.281 . . . . 72.1 111.758 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 76.16 -11.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 125.052 1.341 . . . . 63.34 110.256 178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 9.8 p -100.12 136.08 40.57 Favored 'General case' 0 C--N 1.284 -2.253 0 C-N-CA 124.387 1.075 . . . . 74.32 109.821 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . 0.463 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 99.3 m . . . . . 0 C--O 1.257 1.495 0 CA-C-O 120.82 0.343 . . . . 73.12 110.743 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.561 ' H14' HG23 ' P' ' 5' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.513 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.455 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.239 0.532 0 N-CA-C 109.882 -0.414 . . . . 61.43 109.882 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.455 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -82.09 127.3 32.98 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.572 -1.27 . . . . 74.31 107.572 174.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.25 92.34 4.48 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.797 -1.186 . . . . 64.2 107.797 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 30.0 m -72.07 137.74 81.97 Favored Pre-proline 0 C--O 1.25 1.125 0 CA-C-N 115.03 -0.986 . . . . 72.01 112.673 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.401 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 55.5 Cg_endo -70.51 -175.61 1.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.696 2.264 . . . . 72.1 111.273 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.406 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 12.2 m -83.84 -159.23 0.36 Allowed 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 122.86 0.464 . . . . 72.2 110.388 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' P' 1033 ' ' GXL . 0.2 OUTLIER -73.77 84.14 1.64 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.211 1.005 . . . . 64.11 109.886 177.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 mt -137.22 145.77 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.227 0 N-CA-C 105.941 -1.874 . . . . 63.54 105.941 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.474 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.2 m -99.0 148.92 23.52 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 107.726 -1.213 . . . . 63.44 107.726 178.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 76.1 p -91.1 155.92 18.29 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.317 -1.364 . . . . 62.42 107.317 175.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 16.0 t -76.53 89.15 3.27 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 108.537 -0.912 . . . . 55.45 108.537 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 58.2 m 63.58 29.79 15.14 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 115.197 -0.91 . . . . 73.4 113.071 173.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.33 20.26 59.1 Favored Glycine 0 N--CA 1.438 -1.186 0 C-N-CA 121.01 -0.614 . . . . 70.54 112.665 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -100.2 -83.44 0.44 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.606 0.717 . . . . 71.14 110.91 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -122.92 131.83 53.9 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.261 -0.881 . . . . 54.23 109.706 -177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.627 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.03 -6.22 59.94 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 121.092 -0.575 . . . . 53.5 112.722 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 29.3 p -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 107.608 -1.256 . . . . 72.32 107.608 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.474 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.5 tmt? -133.89 137.35 44.9 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.392 -0.595 . . . . 75.11 109.392 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 72.0 m -130.6 148.92 52.45 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.146 -0.687 . . . . 61.45 109.146 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p -54.84 -35.96 64.53 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 123.901 0.88 . . . . 65.44 112.882 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.24 -19.93 65.6 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.581 -0.281 . . . . 52.14 111.543 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.4 mmm -88.11 -14.36 38.98 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.124 0.487 . . . . 43.24 109.921 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -101.12 -37.35 8.61 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.708 -0.678 . . . . 71.51 112.133 -174.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 24.4 p -98.68 -4.07 34.55 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.457 0.646 . . . . 64.22 109.276 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.1 2.95 3.4 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.494 1.518 . . . . 64.52 111.325 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 3.3 p -129.69 137.21 50.49 Favored 'General case' 0 N--CA 1.427 -1.609 0 CA-C-N 115.867 -0.606 . . . . 52.1 109.465 -176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.2 m . . . . . 0 C--N 1.307 -1.246 0 N-CA-C 110.191 -0.3 . . . . 75.43 110.191 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.595 ' C8 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.477 ' HA ' ' NE2' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.595 ' H3 ' ' C8 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 109.859 -0.423 . . . . 64.21 109.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -102.23 115.27 30.2 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 115.992 -0.549 . . . . 74.34 109.671 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.69 103.21 5.69 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 115.242 -0.89 . . . . 71.31 110.04 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 m -84.97 131.4 48.98 Favored Pre-proline 0 C--O 1.252 1.223 0 CA-C-N 115.123 -0.944 . . . . 53.53 112.746 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.59 -167.46 0.5 Allowed 'Trans proline' 0 N--CA 1.443 -1.447 0 C-N-CA 122.142 1.895 . . . . 63.22 110.176 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -99.62 -157.1 0.58 Allowed 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 108.183 -1.043 . . . . 63.21 108.183 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -83.18 80.92 8.91 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 122.12 0.962 . . . . 73.32 110.69 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.3 mt -111.14 140.16 31.71 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.211 -1.774 . . . . 74.45 106.211 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -74.61 144.41 43.93 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 109.077 -0.712 . . . . 70.02 109.077 -177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -123.89 144.42 49.77 Favored 'General case' 0 C--N 1.283 -2.322 0 N-CA-C 107.559 -1.274 . . . . 71.04 107.559 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 48.1 t -74.44 105.86 5.78 Favored 'General case' 0 C--N 1.28 -2.449 0 N-CA-C 107.295 -1.372 . . . . 73.53 107.295 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 62.3 m 55.56 29.96 14.42 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 113.353 0.872 . . . . 55.22 113.353 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.25 26.6 71.74 Favored Glycine 0 N--CA 1.439 -1.102 0 C-N-CA 121.374 -0.441 . . . . 51.51 112.67 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -85.44 -80.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.163 0.506 . . . . 73.41 110.941 177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -142.62 146.25 34.33 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 115.546 -0.752 . . . . 72.31 109.462 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.53 -1.54 80.67 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.874 -0.89 . . . . 44.32 110.874 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 40.4 p -129.52 141.27 51.03 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 108.694 -0.854 . . . . 74.24 108.694 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.56 152.16 51.69 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 110.407 -0.219 . . . . 72.53 110.407 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 28.0 p -173.11 146.4 1.46 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.915 -1.143 . . . . 74.05 107.915 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.7 m -54.88 -35.63 64.27 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 125.106 1.362 . . . . 71.11 111.048 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -60.31 -23.28 64.07 Favored 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 115.747 -0.661 . . . . 61.43 111.509 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 87.9 mmm -90.62 -7.9 51.51 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 121.658 -0.651 . . . . 62.43 110.946 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.69 -40.94 9.13 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 115.9 -0.591 . . . . 50.45 110.841 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.7 p -101.33 -9.37 21.24 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.088 0.471 . . . . 65.35 110.793 178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 20.4 m120 64.7 26.55 13.11 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.246 1.018 . . . . 70.52 110.676 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -134.54 112.93 11.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.346 -0.843 . . . . 60.14 109.612 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.262 1.743 0 N-CA-C 110.077 -0.342 . . . . 74.2 110.077 175.02 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.511 ' O3 ' ' H5 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . 0.525 H8C1 ' H2 ' ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.511 ' H5 ' ' O3 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 110.382 -0.229 . . . . 53.32 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -101.82 108.89 20.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.726 -1.213 . . . . 74.21 107.726 172.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 92.5 mt -84.4 101.63 12.15 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.956 -0.757 . . . . 73.32 108.956 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.4 m -64.57 132.35 95.37 Favored Pre-proline 0 C--O 1.26 1.618 0 CA-C-N 115.456 -0.793 . . . . 52.44 109.913 177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.43 179.27 4.72 Favored 'Trans proline' 0 N--CA 1.441 -1.617 0 C-N-CA 121.813 1.675 . . . . 74.11 111.492 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.553 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -75.2 -173.11 1.91 Allowed 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 115.635 -0.711 . . . . 75.21 109.485 178.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -78.13 80.31 4.56 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 122.153 0.978 . . . . 72.51 110.313 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.75 139.57 41.62 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 N-CA-C 107.189 -1.412 . . . . 62.3 107.189 -178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' P' ' 17' ' ' HYP . 4.1 m -72.42 144.58 48.09 Favored 'General case' 0 C--N 1.282 -2.327 0 O-C-N 123.636 0.585 . . . . 71.42 109.74 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 54.7 p -120.02 143.99 47.77 Favored 'General case' 0 C--N 1.283 -2.283 0 N-CA-C 107.071 -1.455 . . . . 61.41 107.071 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.54 104.71 6.21 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.165 -1.05 . . . . 65.12 108.165 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 78.0 m 60.43 28.03 17.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.098 0.959 . . . . 71.14 112.684 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 15.81 74.06 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.92 -0.582 . . . . 63.42 112.916 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -88.81 -89.42 0.14 Allowed 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.346 -0.542 . . . . 73.21 112.45 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -124.77 143.51 50.75 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 121.077 -0.249 . . . . 73.14 111.013 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.453 ' HA ' ' O ' ' P' ' 10' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.69 -12.82 79.41 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 110.877 -0.889 . . . . 72.44 110.877 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.83 145.33 50.68 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 123.267 0.627 . . . . 24.44 109.552 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.446 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 67.4 mtt -137.15 149.51 47.33 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 121.608 0.718 . . . . 72.11 111.615 -176.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 25.3 p -163.72 149.62 11.35 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 106.66 -1.607 . . . . 71.32 106.66 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -61.85 -23.31 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.082 0.553 . . . . 64.23 109.964 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.38 -22.79 67.07 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 115.676 -0.693 . . . . 61.2 110.878 176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 92.3 mmm -82.88 -22.37 34.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.783 0.802 . . . . 74.44 109.389 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 34.3 m -84.78 -44.71 13.05 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-N 114.876 -1.056 . . . . 72.4 110.631 -177.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 54.7 p -92.99 -16.35 25.18 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.13 -0.628 . . . . 64.14 110.625 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 m120 73.94 11.34 4.47 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.896 1.278 . . . . 54.12 111.538 -178.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -130.24 122.9 28.94 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.695 -0.684 . . . . 54.41 110.152 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 99.0 m . . . . . 0 C--O 1.253 1.262 0 CA-C-O 120.741 0.305 . . . . 65.24 110.782 -179.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.66 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.66 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 109.831 -0.433 . . . . 72.11 109.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -89.53 105.84 18.06 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.119 -0.697 . . . . 73.23 109.119 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 87.1 mt -82.01 126.29 31.8 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 107.732 -1.21 . . . . 45.32 107.732 177.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -86.45 145.83 40.63 Favored Pre-proline 0 C--N 1.292 -1.929 0 N-CA-C 112.348 0.499 . . . . 41.04 112.348 -173.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.492 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 63.2 Cg_endo -74.28 178.91 6.37 Favored 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 122.182 1.921 . . . . 75.12 109.944 175.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.42 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 5.8 m -87.76 -164.48 1.11 Allowed 'General case' 0 C--N 1.283 -2.29 0 O-C-N 122.303 -0.248 . . . . 73.44 110.999 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.551 ' HB3' ' O2 ' ' P' 1033 ' ' GXL . 22.5 pt20 -68.58 100.4 1.11 Allowed 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.69 0.757 . . . . 74.03 110.38 175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -136.62 145.45 30.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.147 -1.427 . . . . 74.22 107.147 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.456 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 7.2 m -89.3 138.75 31.16 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.401 -1.333 . . . . 72.51 107.401 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' P' ' 14' ' ' GLY . 55.9 p -102.64 141.24 35.78 Favored 'General case' 0 C--N 1.261 -3.279 0 N-CA-C 107.422 -1.325 . . . . 63.22 107.422 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.76 104.42 3.97 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 108.143 -1.058 . . . . 73.31 108.143 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 68.5 m 66.8 18.21 10.64 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.559 1.143 . . . . 72.5 112.238 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' P' ' 11' ' ' THR . . . 85.46 12.61 72.39 Favored Glycine 0 N--CA 1.439 -1.15 0 C-N-CA 120.884 -0.674 . . . . 70.34 112.323 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -81.84 -87.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.926 0.393 . . . . 73.13 111.647 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -129.21 147.17 51.03 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.492 -0.929 . . . . 75.34 108.492 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.43 -24.15 70.65 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.155 -0.778 . . . . 71.4 111.155 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -110.68 142.52 42.47 Favored 'General case' 0 N--CA 1.415 -2.213 0 N-CA-C 108.392 -0.966 . . . . 71.4 108.392 175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.456 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 26.0 ttt -133.81 135.52 43.87 Favored 'General case' 0 C--N 1.284 -2.277 0 N-CA-C 109.786 -0.45 . . . . 73.04 109.786 -175.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -160.69 144.53 13.65 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.756 -1.201 . . . . 61.42 107.756 175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 12.7 m -56.12 -35.55 67.21 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.117 0.967 . . . . 64.32 111.682 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' P' ' 29' ' ' THR . 12.1 t -57.86 -24.04 55.71 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.206 1.002 . . . . 72.35 111.935 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.5 mmm -93.96 -9.61 36.41 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.731 -0.606 . . . . 70.04 110.748 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 76.0 m -105.34 -54.71 2.44 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 112.31 0.485 . . . . 74.43 112.31 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 10.9 p -99.27 2.42 45.55 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.771 -0.372 . . . . 74.13 111.682 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 66.5 t30 70.64 -4.63 1.61 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.128 1.371 . . . . 71.0 112.032 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' P' ' 24' ' ' CYS . 1.8 p -89.13 123.72 33.66 Favored 'General case' 0 N--CA 1.422 -1.849 0 C-N-CA 123.571 0.749 . . . . 72.53 109.341 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.294 -1.816 0 CA-C-N 116.723 -0.217 . . . . 74.44 110.766 -176.202 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.548 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.551 ' O2 ' ' HB3' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.548 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 N-CA-C 109.423 -0.584 . . . . 45.43 109.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -67.69 127.98 34.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.976 -1.12 . . . . 74.32 107.976 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -84.93 119.46 25.39 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.447 -0.946 . . . . 73.34 108.447 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 34.1 m -106.04 155.36 38.56 Favored Pre-proline 0 C--N 1.3 -1.554 0 CA-C-O 121.003 0.43 . . . . 63.32 111.892 -173.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.473 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 59.9 Cg_endo -76.83 -168.04 0.53 Allowed 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.302 2.001 . . . . 62.12 109.184 171.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -88.56 -166.89 1.71 Allowed 'General case' 0 C--N 1.284 -2.253 0 O-C-N 121.487 -0.758 . . . . 53.3 111.754 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . 0.752 ' OE1' ' HA ' ' P' 1033 ' ' GXL . 18.6 pt20 -63.18 98.66 0.15 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.374 1.083 . . . . 75.13 112.313 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.69 144.77 29.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 N-CA-C 106.324 -1.732 . . . . 72.33 106.324 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.494 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 3.6 m -76.34 126.33 30.79 Favored 'General case' 0 N--CA 1.417 -2.106 0 N-CA-C 108.315 -0.995 . . . . 74.13 108.315 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 41.0 p -82.35 145.98 29.63 Favored 'General case' 0 C--N 1.257 -3.422 0 CA-C-N 115.019 -0.991 . . . . 74.12 109.011 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 40.8 t -71.92 93.08 1.31 Allowed 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 108.432 -0.951 . . . . 70.25 108.432 174.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 77.9 m 62.38 30.79 17.42 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 123.948 0.899 . . . . 62.32 112.758 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.96 16.29 72.8 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 115.571 -0.74 . . . . 53.31 113.213 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -87.22 -82.97 0.21 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.176 0.436 . . . . 72.13 112.176 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -130.82 148.38 52.59 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.382 -0.97 . . . . 71.13 108.382 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.35 -18.86 75.37 Favored Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.404 -1.078 . . . . 73.31 110.404 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -121.25 144.02 48.84 Favored 'General case' 0 N--CA 1.425 -1.683 0 N-CA-C 108.643 -0.873 . . . . 74.32 108.643 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.494 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 25.7 ttt -130.92 127.43 38.47 Favored 'General case' 0 C--N 1.305 -1.338 0 C-N-CA 120.171 -0.612 . . . . 75.22 110.438 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 84.8 m -126.89 141.52 51.79 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 106.849 -1.537 . . . . 72.31 106.849 176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.403 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 11.2 t -50.5 -45.42 56.48 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 125.315 1.446 . . . . 74.11 110.824 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.7 t -63.07 -24.19 67.8 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.21 0.448 . . . . 74.24 112.21 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . 0.403 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 81.9 mmm -72.73 -32.34 65.62 Favored 'General case' 0 CA--C 1.506 -0.739 0 O-C-N 121.728 -0.607 . . . . 72.14 110.056 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -88.59 -45.5 9.83 Favored 'General case' 0 C--N 1.295 -1.792 0 CA-C-N 114.863 -1.062 . . . . 74.44 111.394 -175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 41.2 p -75.5 -35.76 60.73 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 120.994 0.426 . . . . 74.42 110.209 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . 0.404 ' N ' HD22 ' P' ' 28' ' ' ASN . 0.8 OUTLIER 82.14 10.19 0.74 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.614 1.566 . . . . 72.15 109.868 -176.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 22.2 p -130.14 112.49 13.46 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.335 -0.848 . . . . 72.22 110.147 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.261 1.662 0 N-CA-C 110.077 -0.342 . . . . 74.5 110.077 177.24 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.866 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.752 ' HA ' ' OE1' ' P' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.866 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.447 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.241 0.618 0 N-CA-C 110.608 -0.145 . . . . 71.14 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.447 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 t-105 -108.12 117.73 34.91 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 115.745 -0.662 . . . . 75.23 109.564 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.38 105.05 12.25 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.601 -0.889 . . . . 74.45 108.601 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 28.3 m -75.43 157.79 84.2 Favored Pre-proline 0 C--N 1.302 -1.468 0 CA-C-N 115.458 -0.792 . . . . 62.52 110.539 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.505 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 38.5 Cg_endo -68.4 176.97 5.04 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.321 2.014 . . . . 74.45 110.889 174.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.45 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 2.2 m -88.3 -160.66 0.66 Allowed 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.314 -0.624 . . . . 23.14 109.314 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -75.14 92.75 2.71 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-O 122.524 1.154 . . . . 70.13 109.604 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mt -122.53 139.56 49.06 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.848 0 N-CA-C 106.063 -1.828 . . . . 72.22 106.063 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' P' ' 20' ' ' MET . 2.8 m -98.75 128.57 45.03 Favored 'General case' 0 C--N 1.266 -3.051 0 N-CA-C 108.23 -1.026 . . . . 63.24 108.23 -177.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 32.5 p -91.19 144.35 25.71 Favored 'General case' 0 C--N 1.257 -3.451 0 CA-C-N 114.632 -1.167 . . . . 71.41 107.853 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . 0.56 ' O ' ' HD1' ' P' ' 15' ' ' TYR . 44.2 t -65.11 98.25 0.29 Allowed 'General case' 0 C--O 1.206 -1.229 0 N-CA-C 108.545 -0.909 . . . . 52.33 108.545 177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 63.7 m 60.63 23.37 13.16 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.522 0.729 . . . . 73.04 112.065 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.76 62.99 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.795 -0.716 . . . . 72.34 113.381 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . 0.56 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 76.8 m-85 -84.48 -85.51 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.507 0.654 . . . . 71.43 111.463 177.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -125.58 152.9 44.48 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 115.739 -0.664 . . . . 62.33 109.616 -176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.8 -8.39 84.5 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 112.051 -0.42 . . . . 75.21 112.051 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 25.6 p -117.18 142.29 47.22 Favored 'General case' 0 N--CA 1.422 -1.849 0 N-CA-C 107.673 -1.232 . . . . 70.2 107.673 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.551 ' HG3' ' HB ' ' P' ' 10' ' ' THR . 27.8 ttt -137.64 124.83 21.65 Favored 'General case' 0 C--N 1.295 -1.762 0 C-N-CA 119.986 -0.685 . . . . 73.41 110.297 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -140.1 127.11 20.86 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.966 -0.753 . . . . 74.11 108.966 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.472 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -54.72 -34.7 62.8 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 111.854 0.316 . . . . 63.34 111.854 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 t -56.73 -25.31 54.29 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.595 0.758 . . . . 73.52 112.007 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . 0.472 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 90.5 mmm -87.81 -22.21 24.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.169 0.509 . . . . 74.34 110.122 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 47.4 m -89.94 -36.44 15.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.062 -0.517 . . . . 61.51 110.823 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 22.6 p -85.54 -21.11 28.73 Favored 'General case' 0 C--O 1.244 0.805 0 N-CA-C 108.173 -1.047 . . . . 63.33 108.173 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 53.8 t30 61.28 63.34 1.23 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.073 -1.876 . . . . 62.43 111.987 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 166.37 129.56 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 128.239 2.616 . . . . 73.35 109.43 175.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 86.7 m . . . . . 0 C--O 1.26 1.646 0 CA-C-O 121.194 0.521 . . . . 71.12 111.037 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.616 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.616 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.248 1.021 0 N-CA-C 110.04 -0.356 . . . . 74.43 110.04 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.419 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -98.46 135.75 39.58 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 108.685 -0.857 . . . . 72.32 108.685 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.9 88.99 4.09 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 108.288 -1.004 . . . . 72.54 108.288 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . 0.465 HG23 ' H14' ' P' 1031 ' ' A2G . 27.6 m -68.15 138.81 92.31 Favored Pre-proline 0 C--N 1.303 -1.455 0 CA-C-N 114.56 -1.2 . . . . 71.43 112.969 -174.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.565 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 60.5 Cg_endo -74.71 176.5 9.72 Favored 'Trans proline' 0 N--CA 1.444 -1.439 0 C-N-CA 122.343 2.029 . . . . 75.43 110.018 173.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.584 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 7.4 m -80.33 -174.81 4.78 Favored 'General case' 0 C--N 1.281 -2.372 0 N-CA-C 109.928 -0.397 . . . . 53.12 109.928 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -71.9 78.49 0.89 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.583 1.182 . . . . 52.44 112.995 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.51 140.82 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.858 0 N-CA-C 107.129 -1.434 . . . . 75.12 107.129 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -110.16 161.64 15.36 Favored 'General case' 0 C--N 1.272 -2.796 0 N-CA-C 107.747 -1.205 . . . . 65.34 107.747 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 26.5 p -101.64 148.26 25.45 Favored 'General case' 0 N--CA 1.401 -2.881 0 N-CA-C 107.717 -1.216 . . . . 74.33 107.717 175.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -78.22 102.32 7.55 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 108.722 -0.844 . . . . 73.35 108.722 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . 0.489 ' HB2' ' CD1' ' P' ' 15' ' ' TYR . 41.2 m 66.82 23.08 10.12 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.538 1.135 . . . . 72.44 110.756 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.4 10.47 79.85 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.797 -0.716 . . . . 43.41 112.782 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' P' ' 13' ' ' CYS . 91.7 m-85 -90.63 -83.75 0.25 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.306 0.854 . . . . 63.34 113.306 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -118.95 141.02 49.03 Favored 'General case' 0 C--N 1.293 -1.87 0 C-N-CA 123.434 0.694 . . . . 74.34 109.813 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.417 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.32 -27.68 73.64 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 109.645 -1.382 . . . . 64.44 109.645 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 p -111.05 143.56 41.57 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-N 114.823 -0.689 . . . . 53.33 109.523 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . . . . . . . . . 79.2 mtp -136.83 121.76 18.84 Favored 'General case' 0 CA--C 1.472 -2.031 0 N-CA-C 109.429 -0.582 . . . . 75.24 109.429 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.6 p -139.0 148.82 43.94 Favored 'General case' 0 C--N 1.268 -2.954 0 CA-C-N 115.181 -0.918 . . . . 61.15 109.339 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -59.18 -29.39 67.42 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.286 0.634 . . . . 52.12 111.398 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.49 -28.03 68.04 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 121.072 0.463 . . . . 72.35 110.902 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 95.6 mmm -80.37 -9.18 59.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.352 0.596 . . . . 74.04 110.114 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 53.8 m -99.04 -49.3 4.56 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.477 -0.783 . . . . 65.54 109.982 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.0 p -90.0 -16.26 30.19 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.946 -0.57 . . . . 53.52 111.837 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 69.6 15.43 8.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.807 1.243 . . . . 63.35 109.344 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 21.8 m -129.11 110.38 11.97 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-N 115.119 -0.946 . . . . 63.13 109.325 -177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.257 1.481 0 CA-C-O 120.935 0.398 . . . . 44.23 111.767 178.023 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.584 ' H5 ' ' N ' ' P' ' 7' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 N-CA-C 110.554 -0.165 . . . . 64.24 110.554 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -94.36 119.95 33.88 Favored 'General case' 0 N--CA 1.421 -1.925 0 N-CA-C 106.839 -1.541 . . . . 73.22 106.839 174.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.84 101.62 10.31 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 109.737 -0.468 . . . . 34.04 109.737 -176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 29.0 m -78.25 132.64 65.9 Favored Pre-proline 0 C--N 1.302 -1.458 0 CA-C-N 115.844 -0.616 . . . . 62.52 109.983 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.445 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 62.5 Cg_endo -74.29 -174.34 1.77 Allowed 'Trans proline' 0 N--CA 1.444 -1.401 0 C-N-CA 121.985 1.79 . . . . 73.11 110.6 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.516 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 1.5 m -80.85 -159.0 0.22 Allowed 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.667 -0.864 . . . . 74.14 108.667 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.37 72.75 7.25 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 122.518 1.152 . . . . 64.0 111.374 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.57 149.05 12.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 114.104 -1.407 . . . . 75.53 107.799 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.431 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 1.2 m -83.05 145.01 29.53 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.541 -0.911 . . . . 72.44 108.541 -179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 73.5 p -103.77 161.56 13.83 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 106.839 -1.541 . . . . 73.13 106.839 173.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' N ' ' P' ' 21' ' ' CYS . 44.8 t -86.5 99.94 12.02 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 107.675 -1.231 . . . . 72.45 107.675 171.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 80.8 m 63.76 27.38 14.66 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 113.05 0.759 . . . . 73.0 113.05 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.53 15.77 75.2 Favored Glycine 0 N--CA 1.441 -0.989 0 C-N-CA 120.52 -0.848 . . . . 52.44 112.683 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' P' ' 12' ' ' CYS . 91.8 m-85 -96.47 -85.56 0.34 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.209 -0.596 . . . . 62.02 110.914 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . 0.41 ' HA ' HD23 ' P' ' 17' ' ' HYP . 79.8 m-20 -120.36 139.48 52.71 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 115.38 -0.827 . . . . 74.14 109.238 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.588 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.67 -15.43 77.79 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 110.896 -0.881 . . . . 71.0 110.896 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -130.17 159.5 36.65 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 107.173 -1.418 . . . . 31.33 107.173 176.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.431 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 57.2 mtt -134.28 130.04 36.49 Favored 'General case' 0 CA--C 1.471 -2.095 0 C-N-CA 119.971 -0.692 . . . . 73.34 110.033 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HA ' ' P' ' 12' ' ' CYS . 80.9 m -142.28 119.26 11.29 Favored 'General case' 0 C--N 1.266 -3.039 0 CA-C-N 115.054 -0.975 . . . . 74.31 109.472 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 23.1 m -46.77 -39.33 11.56 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 124.893 1.277 . . . . 63.42 112.773 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 t -52.35 -35.6 51.57 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.6 0.76 . . . . 65.03 111.996 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 89.7 mmm -95.56 6.1 49.82 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.3 0.571 . . . . 74.31 110.328 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 58.5 m -121.52 -49.69 2.13 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 115.684 -0.689 . . . . 43.12 112.062 -175.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 34.4 p -94.86 -7.15 41.02 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 121.295 0.569 . . . . 72.31 110.068 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 72.17 0.72 3.67 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.109 1.364 . . . . 75.44 111.273 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 17.4 p -103.41 113.56 27.15 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.812 -0.44 . . . . 62.21 109.812 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.289 -2.044 0 CA-C-N 115.591 -0.732 . . . . 62.21 109.915 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.658 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.658 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 N-CA-C 110.184 -0.302 . . . . 74.41 110.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -93.36 123.19 36.48 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.133 -1.062 . . . . 74.23 108.133 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . 0.487 ' HB3' ' O6 ' ' P' 1034 ' ' GAL . 3.9 mm? -71.26 103.78 2.93 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.972 -0.751 . . . . 74.21 108.972 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.7 m -84.4 137.28 39.38 Favored Pre-proline 0 C--N 1.302 -1.47 0 CA-C-N 115.274 -0.875 . . . . 44.53 112.17 -173.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.919 ' HG3' ' HB3' ' P' ' 17' ' ' HYP . 71.1 Cg_endo -71.07 172.31 14.16 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.699 2.266 . . . . 73.2 112.155 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 13.1 m -86.39 -155.63 0.26 Allowed 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.341 -0.845 . . . . 64.0 109.544 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . 0.294 4.1 pp0? -62.26 94.1 0.05 Allowed 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 113.67 0.989 . . . . 73.11 113.67 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 14.0 mt -139.86 150.55 21.99 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 N-CA-C 105.422 -2.066 . . . . 64.44 105.422 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.528 ' HB ' ' HG2' ' P' ' 20' ' ' MET . 3.7 m -96.89 147.77 23.62 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 106.548 -1.649 . . . . 65.42 106.548 175.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 68.9 p -86.46 145.01 27.0 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 107.98 -1.119 . . . . 72.1 107.98 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 49.5 t -79.16 99.93 7.21 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.912 -0.773 . . . . 74.2 108.912 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . 0.527 ' HB2' ' HD1' ' P' ' 15' ' ' TYR . 60.1 m 68.45 22.33 7.86 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 124.291 1.036 . . . . 71.11 111.306 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.35 25.61 61.01 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.395 -0.82 . . . . 72.12 111.497 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . 0.527 ' HD1' ' HB2' ' P' ' 13' ' ' CYS . 72.2 m-85 -101.73 -96.66 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 112.853 0.686 . . . . 73.11 112.853 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OG1' ' P' ' 19' ' ' THR . 26.5 m-80 -97.31 145.16 26.38 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 116.049 -0.523 . . . . 75.14 110.166 -174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.919 ' HB3' ' HG3' ' P' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.31 65.02 Favored Glycine 0 CA--C 1.498 -0.998 0 C-N-CA 120.587 -0.816 . . . . 61.15 111.274 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' P' ' 16' ' ' ASN . 1.2 p -124.76 139.75 53.56 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 115.585 -0.308 . . . . 61.23 110.317 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.528 ' HG2' ' HB ' ' P' ' 10' ' ' THR . 1.0 OUTLIER -130.99 138.74 49.83 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.55 -0.537 . . . . 73.43 109.55 -174.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 26.4 p -154.73 153.5 31.36 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 104.679 -2.341 . . . . 53.31 104.679 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.578 ' O ' ' HG3' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 6.4 m -62.75 -28.68 70.14 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 122.958 0.503 . . . . 74.02 109.752 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HA ' ' P' ' 30' ' ' CYS . 51.4 t -65.09 -24.62 67.49 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.371 -0.832 . . . . 71.04 111.798 -178.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . 0.578 ' HG3' ' O ' ' P' ' 22' ' ' HYP . 4.6 ppp? -86.38 -15.36 40.64 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 119.298 -0.961 . . . . 71.51 111.17 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 61.0 m -85.89 -48.74 8.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.348 -0.842 . . . . 72.01 110.648 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 15.7 p -92.45 -18.13 23.63 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 116.166 -0.47 . . . . 74.55 111.418 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 71.58 16.22 5.88 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.981 0.913 . . . . 72.25 110.256 -175.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 106.728 -1.582 . . . . 71.31 106.728 176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HB2' ' P' ' 24' ' ' CYS . 75.1 m . . . . . 0 C--N 1.304 -1.39 0 CA-C-O 120.576 0.227 . . . . 75.23 110.686 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.749 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . 0.487 ' O6 ' ' HB3' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.749 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' P' ' 2' ' ' HYP . . . . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.302 -0.258 . . . . 73.23 110.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . 0.47 HD23 ' HA ' ' P' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 75.7 t-105 -109.36 128.4 55.09 Favored 'General case' 0 N--CA 1.428 -1.54 0 N-CA-C 108.12 -1.067 . . . . 74.41 108.12 175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . 0.717 ' HB2' ' H62' ' P' 1034 ' ' GAL . 2.1 pt? -87.29 99.05 11.68 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.836 0.827 . . . . 72.03 110.284 178.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 32.0 m -75.08 138.88 72.41 Favored Pre-proline 0 C--N 1.307 -1.243 0 CA-C-N 115.334 -0.848 . . . . 71.2 112.321 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.58 -173.57 1.85 Allowed 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 122.545 2.164 . . . . 62.3 111.505 175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . . . . . . . . . 15.4 m -89.41 -159.97 0.63 Allowed 'General case' 0 C--N 1.289 -2.031 0 C-N-CA 124.025 0.93 . . . . 52.32 111.258 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -70.72 76.76 0.61 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 122.593 1.187 . . . . 60.14 111.208 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -138.58 150.17 24.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 106.77 -1.567 . . . . 74.43 106.77 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.6 ' HB ' ' SD ' ' P' ' 20' ' ' MET . 6.3 m -116.56 160.06 21.21 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.787 -1.19 . . . . 74.34 107.787 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' P' ' 17' ' ' HYP . 32.2 p -92.93 152.06 19.58 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 109.225 -0.658 . . . . 71.23 109.225 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 15.0 t -79.38 100.88 7.82 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.211 -1.033 . . . . 70.41 108.211 172.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 m 62.4 30.18 17.3 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 123.744 0.818 . . . . 62.02 111.813 173.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.71 12.15 81.92 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.839 -0.619 . . . . 71.33 113.452 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -92.38 -92.23 0.16 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 112.51 0.559 . . . . 75.42 112.51 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -116.22 142.18 47.17 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 108.844 -0.799 . . . . 64.14 108.844 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . 0.505 ' HA ' ' HA ' ' P' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.22 -19.97 74.59 Favored Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.992 -0.843 . . . . 54.33 110.992 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -127.79 150.02 50.0 Favored 'General case' 0 N--CA 1.416 -2.139 0 C-N-CA 123.384 0.674 . . . . 71.54 109.421 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.6 ' SD ' ' HB ' ' P' ' 10' ' ' THR . 11.8 tpt -131.11 139.38 49.84 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 107.735 -1.209 . . . . 72.02 107.735 175.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m -136.0 147.67 48.09 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.732 -0.84 . . . . 71.45 108.732 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . 0.613 ' HG ' ' HG2' ' P' ' 25' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 7.9 m -54.78 -43.75 73.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.797 -1.092 . . . . 64.44 111.934 -176.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' P' ' 28' ' ' ASN . 38.0 t -73.0 -10.85 60.25 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.239 0.542 . . . . 61.34 111.635 -175.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . 0.613 ' HG2' ' HG ' ' P' ' 22' ' ' HYP . 95.4 mmm -90.58 -23.84 20.74 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.586 -0.696 . . . . 42.05 109.763 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 83.9 m -96.05 -58.81 1.99 Allowed 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.633 -0.712 . . . . 70.52 112.341 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 36.6 p -82.45 -13.67 56.37 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.466 -0.568 . . . . 61.32 109.466 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' P' ' 24' ' ' CYS . 17.8 m120 71.69 7.16 5.88 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.112 1.365 . . . . 52.44 112.608 178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 4.8 p -102.3 118.75 37.55 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-N 115.514 -0.766 . . . . 55.44 111.232 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.2 m . . . . . 0 C--O 1.258 1.542 0 CA-C-N 116.028 -0.533 . . . . 73.41 110.149 176.506 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.794 ' H8B' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . 0.652 H6C2 ' H5 ' ' P' 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . 0.652 ' H5 ' H6C2 ' P' 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . 0.717 ' H62' ' HB2' ' P' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.794 ' H3 ' ' H8B' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.945 -0.391 . . . . 64.2 109.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -118.94 136.74 53.92 Favored 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 109.045 -0.724 . . . . 72.24 109.045 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' LEU . . . . . 0.596 ' H ' HD23 ' P' ' 4' ' ' LEU . 1.8 pt? -78.69 95.38 5.27 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.391 -1.337 . . . . 33.21 107.391 171.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.1 127.39 91.62 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 115.165 1.543 . . . . 73.35 115.165 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' PRO . . . . . 0.515 ' C ' ' H5 ' ' P' 1031 ' ' A2G . 90.9 Cg_endo -81.94 175.23 9.46 Favored 'Trans proline' 0 N--CA 1.443 -1.479 0 C-N-CA 122.803 2.335 . . . . 65.42 109.933 174.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' SER . . . . . 0.428 ' N ' ' H5 ' ' P' 1031 ' ' A2G . 4.9 m -88.18 -161.31 0.71 Allowed 'General case' 0 C--N 1.282 -2.355 0 N-CA-C 109.734 -0.469 . . . . 72.12 109.734 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.95 85.57 2.27 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 122.387 1.089 . . . . 73.13 110.733 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' ILE . . . . . . . . . . . . . 15.7 mt -129.2 136.78 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.188 0 N-CA-C 105.092 -2.188 . . . . 75.13 105.092 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' P' ' 20' ' ' MET . 4.0 m -107.16 152.89 23.46 Favored 'General case' 0 C--N 1.257 -3.437 0 N-CA-C 108.625 -0.88 . . . . 71.53 108.625 -176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -91.01 146.59 23.72 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.354 -1.721 . . . . 54.43 106.354 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.52 97.46 1.02 Allowed 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.942 -0.703 . . . . 75.31 109.84 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 13' ' ' CYS . . . . . . . . . . . . . 60.9 m 63.96 26.26 14.1 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 124.266 1.027 . . . . 75.05 111.08 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.31 4.81 66.02 Favored Glycine 0 N--CA 1.436 -1.341 0 CA-C-N 114.844 -1.071 . . . . 73.11 113.254 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -87.98 -94.78 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.054 1.131 . . . . 64.34 114.054 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -103.17 142.18 34.59 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 109.96 -0.385 . . . . 62.31 109.96 -175.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 17' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.84 -2.29 81.58 Favored Glycine 0 C--O 1.239 0.443 0 C-N-CA 120.281 -0.962 . . . . 61.13 111.951 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 p -137.06 143.08 42.46 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 109.492 -0.559 . . . . 72.32 109.492 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 20' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' P' ' 10' ' ' THR . 90.4 mtp -124.92 153.18 43.08 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 121.394 0.616 . . . . 74.54 109.995 -178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 21' ' ' CYS . . . . . . . . . . . . . 89.2 m -139.65 140.61 36.97 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.66 -1.155 . . . . 74.32 108.273 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 22' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 23' ' ' SER . . . . . . . . . . . . . 40.2 m -57.48 -40.78 79.34 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.97 -1.014 . . . . 73.15 112.001 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 24' ' ' CYS . . . . . . . . . . . . . 47.0 t -67.38 -31.32 71.47 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 120.608 0.242 . . . . 71.02 111.25 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 25' ' ' MET . . . . . . . . . . . . . 94.9 mmm -74.46 -28.01 60.84 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.5 -0.48 . . . . 75.44 111.131 -178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 26' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.44 -36.99 10.62 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 112.895 0.702 . . . . 74.3 112.895 -177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 27' ' ' THR . . . . . . . . . . . . . 40.9 p -88.44 -14.2 38.55 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 119.815 -0.754 . . . . 75.02 111.087 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 28' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 72.84 5.49 5.21 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 122.334 1.064 . . . . 44.41 110.996 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 29' ' ' THR . . . . . . . . . . . . . 19.6 p -124.2 113.3 18.12 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 115.461 -0.791 . . . . 75.25 110.612 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 30' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.247 0.948 0 N-CA-C 110.19 -0.3 . . . . 62.01 110.19 175.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P 1031 ' ' A2G . . . . . 0.602 ' C7 ' ' H3 ' ' P' 1035 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P 1032 ' ' NDG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P 1033 ' ' GXL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P 1034 ' ' GAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P 1035 ' ' GXL . . . . . 0.602 ' H3 ' ' C7 ' ' P' 1031 ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_