data_1ter_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 1ter _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.412 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.412 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.613 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 14' ' ' CYS . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.55 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.613 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.547 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp . . . . . 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.522 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD11 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.609 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.598 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.574 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.263 20.6 tttt . . . . . 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' CA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 8' ' ' ILE . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' HG23 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' CB ' HD13 ' A' ' 10' ' ' ILE . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.21 1.005 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.556 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' ' HB2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.619 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.543 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.585 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.615 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.579 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.612 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.605 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.605 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB3' HG23 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HB3' HD13 ' A' ' 10' ' ' ILE . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.555 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB2' ' N ' ' A' ' 19' ' ' GLY 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.61 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.558 ' HB3' HG23 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 16.2 tttt . . . . . 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.382 0.611 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.625 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.625 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt . . . . . 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HG2' ' A' ' 11' ' ' PRO . 14.4 t . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 ' HD2' ' A' ' 11' ' ' PRO 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.567 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 19' ' ' GLY 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.545 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.259 1.0 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.614 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 14' ' ' CYS . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.614 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.533 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 11' ' ' PRO . 16.9 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.52 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CD1' ' HD3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.442 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' N ' ' HB3' ' A' ' 20' ' ' LYS . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt . . . . . 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.501 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.502 ' NE ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.514 HD12 ' HD3' ' A' ' 20' ' ' LYS . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 HD13 HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.61 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.571 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.56 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp . . . . . 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.579 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' HB2' HD13 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt . . . . . 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.483 ' ND2' ' NH2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.428 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH2' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.541 HD13 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.58 HG21 ' HD2' ' A' ' 11' ' ' PRO 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CD1' HG12 ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.602 0.715 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.536 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' HB3' ' A' ' 15' ' ' TRP 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' N ' HG21 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.282 25.1 p-80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.521 ' HG3' ' NE2' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 15' ' ' TRP . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 1.3 tttt . . . . . 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.512 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.512 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.47 ' HD2' HG21 ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 15' ' ' TRP . 28.0 p-80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 1.8 ttpp . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 C--O 1.238 0.458 0 CA-C-O 120.153 0.025 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 15' ' ' TRP . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 21' ' ' LYS 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.175 0.512 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.526 ' HA ' ' NE1' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HB2' ' HA ' ' A' ' 20' ' ' LYS 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.534 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm . . . . . 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.237 0.414 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.523 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HB3' ' HA ' ' A' ' 21' ' ' LYS 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 5' ' ' CYS . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.235 0.31 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.519 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mt -124.41 179.56 4.87 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.886 -166.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -58.14 104.34 0.2 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.528 -1.358 . . . . 0.0 111.241 -141.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.401 ' CB ' ' HB2' ' A' ' 7' ' ' ARG . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.412 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.412 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 HG12 ' N ' ' A' ' 22' ' ' NH2 . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.613 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.55 ' HD2' ' HB2' ' A' ' 14' ' ' CYS . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.55 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.613 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.547 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp 79.97 128.31 0.05 OUTLIER 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.52 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 109.972 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.532 ' HA ' HD22 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -148.56 -174.64 4.66 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.495 -159.198 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -58.44 121.58 11.22 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 -157.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.522 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.522 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD11 HG12 ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 HD11 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.609 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.598 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.574 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.263 20.6 tttt 100.22 124.86 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.323 0 CA-C-N 110.076 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER 62.91 172.68 0.15 Allowed 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.032 -160.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -62.26 126.4 27.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.955 -1.091 . . . . 0.0 109.439 -138.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' CA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 8' ' ' ILE . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.611 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' HG23 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' CB ' HD13 ' A' ' 10' ' ' ILE . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.611 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 77.65 -144.36 0.02 OUTLIER 'General case' 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.516 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 117.951 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.7 mt 67.22 178.01 0.23 Allowed 'General case' 0 C--O 1.25 1.103 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.833 166.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m -90.59 145.09 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 119.982 -1.699 . . . . 0.0 112.647 -132.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.519 HG21 ' N ' ' A' ' 22' ' ' NH2 . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.621 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.534 ' HB2' ' HB2' ' A' ' 14' ' ' CYS . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HB2' ' HB2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.619 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.543 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 78.75 121.29 0.05 OUTLIER 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.519 ' N ' HG21 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.383 0 CA-C-N 112.342 -2.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.564 0.697 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.24 -176.0 3.74 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.055 -174.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.48 119.44 8.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.081 -1.012 . . . . 0.0 112.159 -144.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.466 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.466 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.585 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.615 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.615 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.612 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp 78.03 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.512 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.339 0.122 0 O-C-N 117.942 -2.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.89 174.61 11.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.823 -170.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 132.13 50.26 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 -149.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.415 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.605 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.548 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.605 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.542 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER 84.81 121.01 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.459 0 CA-C-N 111.727 -2.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.148 0.499 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.2 OUTLIER 63.02 -179.27 0.15 Allowed 'General case' 0 C--O 1.247 0.951 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.589 -165.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.34 126.85 29.3 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 -145.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.605 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HB3' HG23 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HB3' HD13 ' A' ' 10' ' ' ILE . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.555 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HB2' ' N ' ' A' ' 19' ' ' GLY 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 0.8 OUTLIER 84.13 179.85 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.243 0 CA-C-N 111.339 -2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 120.985 0.421 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -169.36 -178.22 3.06 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 116.275 -1.822 . . . . 0.0 109.932 -167.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.98 130.5 41.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.02 -1.05 . . . . 0.0 110.775 -138.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.61 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.558 ' HB3' HG23 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.635 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 16.2 tttt 78.07 -146.77 0.02 OUTLIER 'General case' 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.525 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.026 0 O-C-N 118.174 -2.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.35 161.67 10.04 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -162.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.4 137.09 40.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 110.648 -139.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.625 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.625 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.578 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HG2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.625 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt 88.55 105.74 0.03 OUTLIER 'General case' 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 CA-C-N 111.719 -2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.759 0.79 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.16 176.82 7.34 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.184 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HG2' ' A' ' 11' ' ' PRO . 14.4 t -62.84 124.88 22.19 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -155.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 ' HD2' ' A' ' 11' ' ' PRO 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.576 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.567 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 19' ' ' GLY 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.545 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.259 1.0 OUTLIER 91.42 173.55 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.428 0 CA-C-N 110.355 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.527 0.68 . . . . 0.0 109.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mt -114.14 168.0 10.2 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.335 172.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER -44.99 94.95 0.01 OUTLIER 'General case' 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 -137.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.614 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 14' ' ' CYS . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.614 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.501 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.533 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 79.14 123.24 0.05 OUTLIER 'General case' 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.316 0 CA-C-N 111.147 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 122.323 1.059 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -149.63 -178.18 6.29 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.323 -169.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HA ' ' HG2' ' A' ' 11' ' ' PRO . 16.9 t -56.12 124.66 18.59 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 -149.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.52 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG12 ' N ' ' A' ' 22' ' ' NH2 . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.599 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' N ' ' HB3' ' A' ' 20' ' ' LYS . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.599 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt 90.01 112.7 0.03 OUTLIER 'General case' 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.501 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 110.945 -2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' CA ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.928 0.394 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -128.9 -172.46 2.73 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.806 -164.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.39 128.63 38.0 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 -154.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.501 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.502 ' NE ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.518 HD13 ' N ' ' A' ' 22' ' ' NH2 . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 HD13 HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.61 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.571 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.56 ' N ' ' HB2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp 81.45 126.18 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.518 ' N ' HD13 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.346 0.425 0 CA-C-N 110.26 -3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' HB2' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.439 ' HG ' ' HB2' ' A' ' 1' ' ' ALA . 0.5 OUTLIER 62.85 173.72 0.15 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.28 162.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.51 91.96 1.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 -156.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.604 HG12 ' HA ' ' A' ' 21' ' ' LYS 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' HB2' HD13 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HA ' ' HE3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt 76.18 128.86 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 CA-C-N 112.522 -2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.65 177.81 10.11 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -155.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t -56.8 120.92 8.68 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 -151.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' ND2' ' NH2' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 18' ' ' CYS 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.428 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH2' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.541 HD13 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.58 HG21 ' HD2' ' A' ' 11' ' ' PRO 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.58 ' HD2' HG21 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' HB3' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CD1' HG12 ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' O ' ' HA2' ' A' ' 19' ' ' GLY . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' O ' ' A' ' 16' ' ' LYS . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER 90.08 108.05 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.437 ' N ' ' CD1' ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.341 0.209 0 CA-C-N 111.466 -2.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.2 0.524 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.39 140.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m -113.1 113.42 25.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.521 -173.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.536 ' HA ' HD12 ' A' ' 10' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' HB3' ' A' ' 15' ' ' TRP 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' N ' HG21 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.282 25.1 p-80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.521 ' HG3' ' NE2' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 15' ' ' TRP . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 1.3 tttt 84.69 -166.09 0.01 OUTLIER 'General case' 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.165 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.8 170.5 0.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.07 -160.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.22 125.67 40.9 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 -153.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.512 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.512 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 HG21 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.47 ' HD2' HG21 ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' HA ' ' CE2' ' A' ' 15' ' ' TRP . 28.0 p-80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' HB3' HG21 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 1.8 ttpp 85.65 -177.0 0.02 OUTLIER 'General case' 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.105 0 CA-C-N 113.178 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' A' ' 2' ' ' LEU . 13.8 mt 60.47 174.48 0.1 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.16 -163.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.43 109.36 16.67 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -150.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 15' ' ' TRP . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HA ' ' CE2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.551 ' HB3' ' HA ' ' A' ' 21' ' ' LYS 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 87.77 -172.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.132 0 CA-C-N 114.083 -1.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 121.102 0.477 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HA ' HD21 ' A' ' 2' ' ' LEU . 21.0 mt -118.43 -172.37 2.26 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.337 172.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.09 152.76 21.47 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.201 -0.937 . . . . 0.0 111.642 -142.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.526 ' HA ' ' NE1' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HB2' ' HA ' ' A' ' 20' ' ' LYS 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 20' ' ' LYS . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm 30.32 -137.86 0.01 OUTLIER 'General case' 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 119.515 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 121.544 0.688 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.99 -166.58 0.2 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.379 -173.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -52.45 133.74 35.08 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.369 -0.832 . . . . 0.0 112.59 -148.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.523 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HB3' ' HA ' ' A' ' 21' ' ' LYS 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 5' ' ' CYS . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 79.79 -170.51 0.04 OUTLIER 'General case' 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.157 0 CA-C-N 113.239 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.44 169.01 16.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.16 175.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.36 139.21 55.84 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.225 -157.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.519 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.549 ' HB3' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 84.91 -171.5 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.163 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.589 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.918 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 10' ' ' ILE . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.918 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.885 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.847 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp . . . . . 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.009 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.762 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.009 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.827 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.972 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.263 20.6 tttt . . . . . 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' ND2' ' NH1' ' A' ' 7' ' ' ARG . 3.2 t-20 -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.499 ' NH1' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.06 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.06 ' HB3' HG22 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.733 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.766 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.21 1.005 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.2 t-20 -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' ASN . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.916 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.844 ' HD2' HG22 ' A' ' 10' ' ' ILE . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.636 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.916 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.818 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 7' ' ' ARG . 4.2 t-20 -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.92 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.92 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.796 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 1.3 t-20 -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 9' ' ' ILE . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.887 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.847 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.887 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.073 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.068 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 1.073 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.945 ' HB2' ' HB3' ' A' ' 18' ' ' CYS 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 21' ' ' LYS 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.075 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.075 ' HB3' HG22 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.797 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.731 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 8' ' ' ILE . 16.2 tttt . . . . . 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.382 0.611 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.535 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' N ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.88 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.803 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.803 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.88 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.799 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt . . . . . 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 6' ' ' ASN . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.611 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.786 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 17' ' ' LYS 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' CYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.891 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.664 ' HG2' ' CD2' ' A' ' 15' ' ' TRP 0.259 1.0 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.807 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.807 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.911 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 10' ' ' ILE . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.911 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.747 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.674 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt . . . . . 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.576 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' HD2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.07 HD12 HD13 ' A' ' 10' ' ' ILE . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.07 HD13 HD12 ' A' ' 8' ' ' ILE 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.006 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.811 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.002 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 1.002 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.823 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp . . . . . 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 7.7 t-20 -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.972 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.972 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.85 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.595 ' SG ' HG21 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' CB ' ' A' ' 20' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.691 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt . . . . . 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.795 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.735 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.602 0.715 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 8' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 11' ' ' PRO 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.757 ' O ' HG22 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.714 ' CE1' ' HG3' ' A' ' 13' ' ' MET 0.282 15.0 p80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.714 ' HG3' ' CE1' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.635 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.62 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.3 tttt . . . . . 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' ASN . 4.1 m-20 -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.508 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.508 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 16.0 p80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' HG22 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.597 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.597 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.8 ttpp . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 C--O 1.238 0.458 0 CA-C-O 120.153 0.025 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.684 ' HA ' HD13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 8' ' ' ILE . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.646 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HG2' ' CE3' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.175 0.512 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' HA ' HD13 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.627 ' CD1' ' HA ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.627 ' HA ' ' CD1' ' A' ' 10' ' ' ILE 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm . . . . . 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.237 0.414 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.5 m-80 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.235 0.31 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 6' ' ' ASN . 1.2 m-20 -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.491 ' C ' ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' C ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.783 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 1' ' ' ALA . 4.8 mt -124.41 179.56 4.87 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.886 -166.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -58.14 104.34 0.2 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.528 -1.358 . . . . 0.0 111.241 -141.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.523 HG12 ' N ' ' A' ' 22' ' ' NH2 . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.589 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.918 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 10' ' ' ILE . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.918 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.885 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.847 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp 79.97 128.31 0.05 OUTLIER 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.523 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 109.972 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.75 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -148.56 -174.64 4.66 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.495 -159.198 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -58.44 121.58 11.22 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 -157.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.009 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.762 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.009 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.827 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.972 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.263 20.6 tttt 100.22 124.86 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.323 0 CA-C-N 110.076 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.5 OUTLIER 62.91 172.68 0.15 Allowed 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.032 -160.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -62.26 126.4 27.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.955 -1.091 . . . . 0.0 109.439 -138.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' ND2' ' NH1' ' A' ' 7' ' ' ARG . 3.2 t-20 -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' NH1' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.06 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.06 ' HB3' HG22 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.733 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.766 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 77.65 -144.36 0.02 OUTLIER 'General case' 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.531 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 117.951 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.7 mt 67.22 178.01 0.23 Allowed 'General case' 0 C--O 1.25 1.103 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.833 166.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m -90.59 145.09 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 119.982 -1.699 . . . . 0.0 112.647 -132.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.2 t-20 -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' ASN . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.916 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.844 ' HD2' HG22 ' A' ' 10' ' ' ILE . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.636 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.916 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.818 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 78.75 121.29 0.05 OUTLIER 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.383 0 CA-C-N 112.342 -2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.564 0.697 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -129.24 -176.0 3.74 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.055 -174.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.48 119.44 8.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.081 -1.012 . . . . 0.0 112.159 -144.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 7' ' ' ARG . 4.2 t-20 -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.92 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.92 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.796 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp 78.03 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.49 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.339 0.122 0 O-C-N 117.942 -2.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -163.89 174.61 11.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.823 -170.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 132.13 50.26 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 -149.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 1.3 t-20 -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 9' ' ' ILE . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.887 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.847 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.887 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER 84.81 121.01 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.459 0 CA-C-N 111.727 -2.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.148 0.499 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.658 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER 63.02 -179.27 0.15 Allowed 'General case' 0 C--O 1.247 0.951 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.589 -165.414 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.34 126.85 29.3 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 -145.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.073 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.068 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 1.073 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.945 ' HB2' ' HB3' ' A' ' 18' ' ' CYS 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER 84.13 179.85 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.243 0 CA-C-N 111.339 -2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 120.985 0.421 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -169.36 -178.22 3.06 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 116.275 -1.822 . . . . 0.0 109.932 -167.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.98 130.5 41.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.02 -1.05 . . . . 0.0 110.775 -138.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 21' ' ' LYS 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.075 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.075 ' HB3' HG22 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.797 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.731 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 8' ' ' ILE . 16.2 tttt 78.07 -146.77 0.02 OUTLIER 'General case' 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.559 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.026 0 O-C-N 118.174 -2.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.35 161.67 10.04 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -162.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.4 137.09 40.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 110.648 -139.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.535 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' N ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.88 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.803 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.803 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.88 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.799 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt 88.55 105.74 0.03 OUTLIER 'General case' 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 CA-C-N 111.719 -2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' N ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.759 0.79 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.56 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.8 OUTLIER -166.16 176.82 7.34 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.184 177.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.4 t -62.84 124.88 22.19 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -155.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 6' ' ' ASN . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.611 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.786 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 17' ' ' LYS 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' CYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.891 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.664 ' HG2' ' CD2' ' A' ' 15' ' ' TRP 0.259 1.0 OUTLIER 91.42 173.55 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.428 0 CA-C-N 110.355 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.64 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.527 0.68 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 1' ' ' ALA . 3.5 mt -114.14 168.0 10.2 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.335 172.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER -44.99 94.95 0.01 OUTLIER 'General case' 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 -137.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.807 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.911 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 10' ' ' ILE . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.911 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 79.14 123.24 0.05 OUTLIER 'General case' 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.316 0 CA-C-N 111.147 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 122.323 1.059 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 1' ' ' ALA . 2.3 mt -149.63 -178.18 6.29 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.323 -169.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -56.12 124.66 18.59 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 -149.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.673 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.747 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.674 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt 90.01 112.7 0.03 OUTLIER 'General case' 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.505 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 110.945 -2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.831 ' O ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.928 0.394 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -128.9 -172.46 2.73 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.806 -164.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.39 128.63 38.0 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 -154.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.576 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' HD2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.07 HD12 HD13 ' A' ' 10' ' ' ILE . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.07 HD13 HD12 ' A' ' 8' ' ' ILE 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.006 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.811 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.002 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 1.002 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.823 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp 81.45 126.18 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.516 ' N ' HG13 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.346 0.425 0 CA-C-N 110.26 -3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER 62.85 173.72 0.15 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.28 162.482 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.51 91.96 1.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 -156.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 7.7 t-20 -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.972 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.972 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.85 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' SG ' HG21 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' CB ' ' A' ' 20' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.691 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt 76.18 128.86 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 CA-C-N 112.522 -2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.781 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -160.65 177.81 10.11 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -155.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t -56.8 120.92 8.68 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 -151.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.479 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.795 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.735 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER 90.08 108.05 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.49 ' N ' HD11 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.341 0.209 0 CA-C-N 111.466 -2.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.2 0.524 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.39 140.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m -113.1 113.42 25.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.521 -173.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' H ' ' HG2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 8' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 11' ' ' PRO 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.757 ' O ' HG22 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.714 ' CE1' ' HG3' ' A' ' 13' ' ' MET 0.282 15.0 p80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.714 ' HG3' ' CE1' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.635 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.62 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.3 tttt 84.69 -166.09 0.01 OUTLIER 'General case' 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.165 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.8 170.5 0.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.07 -160.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.22 125.67 40.9 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 -153.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' ASN . 4.1 m-20 -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.508 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.508 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 8' ' ' ILE . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 16.0 p80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' HG22 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.597 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.597 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.8 ttpp 85.65 -177.0 0.02 OUTLIER 'General case' 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.105 0 CA-C-N 113.178 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.47 174.48 0.1 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.16 -163.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.43 109.36 16.67 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -150.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.684 ' HA ' HD13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 8' ' ' ILE . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.646 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HG2' ' CE3' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 87.77 -172.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.132 0 CA-C-N 114.083 -1.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 121.102 0.477 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 mt -118.43 -172.37 2.26 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.337 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.09 152.76 21.47 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.201 -0.937 . . . . 0.0 111.642 -142.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.613 ' HA ' HD13 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' CD1' ' HA ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.627 ' HA ' ' CD1' ' A' ' 10' ' ' ILE 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm 30.32 -137.86 0.01 OUTLIER 'General case' 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 119.515 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 121.544 0.688 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.99 -166.58 0.2 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.379 -173.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -52.45 133.74 35.08 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.369 -0.832 . . . . 0.0 112.59 -148.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.5 m-80 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 79.79 -170.51 0.04 OUTLIER 'General case' 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.157 0 CA-C-N 113.239 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 109.795 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.783 HD22 ' H ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -131.44 169.01 16.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.16 175.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.36 139.21 55.84 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.225 -157.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 6' ' ' ASN . 1.2 m-20 -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.491 ' C ' ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' C ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 84.91 -171.5 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.163 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.492 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.589 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.918 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 10' ' ' ILE . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.918 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.885 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.847 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp . . . . . 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.009 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.762 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.009 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.827 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.972 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.263 20.6 tttt . . . . . 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.06 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.06 ' HB3' HG22 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.733 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.766 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 122.21 1.005 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' ASN . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.916 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.844 ' HD2' HG22 ' A' ' 10' ' ' ILE . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.636 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.916 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.818 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.432 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.92 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.92 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.796 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp . . . . . 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.476 0.875 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 9' ' ' ILE . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.887 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.847 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.887 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.073 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.068 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 1.073 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.945 ' HB2' ' HB3' ' A' ' 18' ' ' CYS 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 21' ' ' LYS 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.075 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.075 ' HB3' HG22 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.797 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.731 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 8' ' ' ILE . 16.2 tttt . . . . . 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.382 0.611 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.535 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.563 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.88 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.803 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.803 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.88 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.799 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt . . . . . 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 6' ' ' ASN . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.611 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.786 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 17' ' ' LYS 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' CYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.891 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.664 ' HG2' ' CD2' ' A' ' 15' ' ' TRP 0.259 1.0 OUTLIER . . . . . 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.807 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.807 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.911 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 10' ' ' ILE . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.911 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.747 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.674 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt . . . . . 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.576 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.576 ' HD2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.07 HD12 HD13 ' A' ' 10' ' ' ILE . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.07 HD13 HD12 ' A' ' 8' ' ' ILE 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.006 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.811 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 12' ' ' HIS . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.002 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 1.002 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.823 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp . . . . . 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.569 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.972 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.972 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.85 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.595 ' SG ' HG21 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' CB ' ' A' ' 20' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.691 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt . . . . . 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.549 HD22 ' H ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.549 ' H ' HD22 ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH2' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.795 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.735 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 121.602 0.715 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 8' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 11' ' ' PRO 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.757 ' O ' HG22 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 13' ' ' MET 0.282 25.1 p-80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.534 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.635 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.62 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.3 tttt . . . . . 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.508 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.508 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 28.0 p-80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' HG22 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.597 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.597 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.8 ttpp . . . . . 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m . . . . . 0 C--O 1.238 0.458 0 CA-C-O 120.153 0.025 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.684 ' HA ' HD13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 8' ' ' ILE . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.646 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HG2' ' CE3' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.566 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 121.175 0.512 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' HA ' HD13 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.627 ' CD1' ' HA ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.627 ' HA ' ' CD1' ' A' ' 10' ' ' ILE 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm . . . . . 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.237 0.414 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.8 m120 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.235 0.31 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.4 OUTLIER -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.491 ' C ' ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' C ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.783 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 1' ' ' ALA . 4.8 mt -124.41 179.56 4.87 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 117.799 -1.096 . . . . 0.0 109.886 -166.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.8 m -58.14 104.34 0.2 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.528 -1.358 . . . . 0.0 111.241 -141.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.7 t-20 -76.85 93.81 3.8 Favored 'General case' 0 C--O 1.246 0.903 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 153.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.355 47.2 t -73.49 12.68 0.57 Allowed 'General case' 0 C--O 1.261 1.661 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.944 153.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.0 t-20 -124.07 -2.32 8.18 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 118.689 -2.507 . . . . 0.0 111.313 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -110.03 138.2 46.74 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 154.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.523 HG12 ' N ' ' A' ' 22' ' ' NH2 . 0.0 OUTLIER -121.69 25.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-N 112.017 -2.356 . . . . 0.0 110.525 -162.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.589 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.7 pp -106.65 66.58 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 142.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.918 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.735 0.3 OUTLIER -55.63 141.95 63.24 Favored Pre-proline 0 CA--C 1.502 -0.87 0 CA-C-O 124.874 2.273 . . . . 0.0 111.117 -167.472 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 10' ' ' ILE . 39.0 Cg_exo -60.64 151.11 78.37 Favored 'Trans proline' 0 C--N 1.382 2.29 0 N-CA-C 107.808 -1.651 . . . . 0.0 107.808 151.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.313 0.0 OUTLIER -111.51 -5.56 14.54 Favored 'General case' 0 C--O 1.291 3.269 0 C-N-CA 118.173 -1.411 . . . . 0.0 109.671 -134.745 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 mmt -71.72 -44.37 64.26 Favored 'General case' 0 C--N 1.351 0.671 1 O-C-N 115.606 -4.433 . . . . 0.0 110.28 144.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 73.7 m -57.88 -24.81 59.35 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 120.997 -1.064 . . . . 0.0 110.657 174.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.918 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 42.0 m0 -75.04 -61.81 1.76 Allowed 'General case' 0 CA--C 1.598 2.811 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -61.25 -9.51 5.17 Favored 'General case' 1 C--O 1.32 4.783 1 CA-C-O 106.769 -6.348 . . . . 0.0 111.411 -171.479 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -131.28 -0.67 4.04 Favored 'General case' 0 C--N 1.417 3.541 2 O-C-N 106.064 -10.397 . . . . 0.0 116.372 -175.188 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.885 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 17.2 t -51.24 -30.74 18.46 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 118.833 -2.417 . . . . 0.0 108.883 134.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.24 44.94 2.9 Favored Glycine 0 CA--C 1.575 3.828 0 O-C-N 118.119 -2.863 . . . . 0.0 109.751 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -169.2 -127.99 0.01 OUTLIER 'General case' 0 C--O 1.288 3.118 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -125.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.847 ' HA ' HG12 ' A' ' 10' ' ' ILE . 15.4 tttp 79.97 128.31 0.05 OUTLIER 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 113.48 -5.763 . . . . 0.0 111.68 -131.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.523 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 109.972 -3.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.75 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.75 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -148.56 -174.64 4.66 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.495 -159.198 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -58.44 121.58 11.22 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 118.46 -0.781 . . . . 0.0 108.999 -157.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.631 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 1.1 t-20 -124.43 99.6 6.27 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.23 -2.714 . . . . 0.0 110.65 163.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.342 42.7 t -63.33 -1.25 1.04 Allowed 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.968 162.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER -111.29 -22.99 11.08 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 119.898 -1.751 . . . . 0.0 111.869 -173.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 2.1 tpp180 -83.89 151.47 25.08 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.644 HD12 ' N ' ' A' ' 9' ' ' ILE . 1.4 pp -75.1 -12.31 14.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.813 -146.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.8 mm -137.71 145.35 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.185 165.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.009 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.64 0.1 OUTLIER -100.55 123.18 47.01 Favored Pre-proline 0 C--O 1.266 1.958 0 CA-C-N 114.723 -1.126 . . . . 0.0 108.234 -169.199 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.274 0.1 OUTLIER -68.31 132.42 25.75 Favored 'Trans proline' 0 C--O 1.269 2.072 0 C-N-CA 115.025 -2.85 . . . . 0.0 107.413 164.243 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.762 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -86.23 11.51 11.88 Favored 'General case' 0 C--O 1.275 2.429 0 O-C-N 120.205 -1.559 . . . . 0.0 111.04 -139.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -49.34 59.69 Favored 'General case' 0 C--O 1.255 1.365 0 O-C-N 117.722 -3.111 . . . . 0.0 110.825 149.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.009 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -64.9 -25.49 67.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.428 -1.42 . . . . 0.0 110.094 175.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.827 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.7 m95 -61.93 -64.84 0.81 Allowed 'General case' 0 CA--C 1.584 2.279 0 CA-C-N 114.045 -1.434 . . . . 0.0 107.15 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.38 -15.79 2.94 Favored 'General case' 1 C--O 1.321 4.839 1 CA-C-O 106.664 -6.398 . . . . 0.0 112.701 177.074 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.61 -1.67 4.87 Favored 'General case' 0 C--N 1.422 3.735 2 O-C-N 105.318 -10.864 . . . . 0.0 116.609 -170.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 6.5 t -48.58 -33.98 10.71 Favored 'General case' 0 C--N 1.282 -2.342 0 O-C-N 118.389 -2.694 . . . . 0.0 110.099 131.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.55 44.17 2.56 Favored Glycine 0 CA--C 1.574 3.77 0 O-C-N 119.675 -1.891 . . . . 0.0 109.882 -175.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.972 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.27 -130.99 0.01 OUTLIER 'General case' 0 C--O 1.283 2.845 0 N-CA-C 120.086 3.365 . . . . 0.0 120.086 -124.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.669 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.263 20.6 tttt 100.22 124.86 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.52 1 O-C-N 114.222 -5.299 . . . . 0.0 110.804 -128.173 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.323 0 CA-C-N 110.076 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER 62.91 172.68 0.15 Allowed 'General case' 0 C--O 1.248 0.989 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.032 -160.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -62.26 126.4 27.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.955 -1.091 . . . . 0.0 109.439 -138.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -133.32 90.81 2.78 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 110.0 -3.273 . . . . 0.0 109.729 164.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 11.5 t -68.11 -0.42 4.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 119.534 -0.866 . . . . 0.0 109.219 164.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER -107.87 -13.84 14.9 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.573 -177.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -94.71 149.47 21.21 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 148.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 tp -120.7 42.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.315 0 CA-C-N 112.897 -1.956 . . . . 0.0 110.481 -157.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -149.35 103.15 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.638 0 CA-C-N 113.604 -1.634 . . . . 0.0 109.109 154.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.06 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.668 0.3 OUTLIER -95.9 124.64 51.54 Favored Pre-proline 0 C--O 1.287 3.04 0 CA-C-O 117.144 -1.408 . . . . 0.0 108.336 -145.614 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.26 0.1 OUTLIER -67.31 130.69 23.09 Favored 'Trans proline' 0 C--N 1.378 2.103 0 O-C-N 113.82 -3.832 . . . . 0.0 107.481 168.197 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.292 0.0 OUTLIER -91.59 19.51 6.24 Favored 'General case' 0 C--O 1.283 2.866 0 O-C-N 119.444 -2.035 . . . . 0.0 111.921 -132.301 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 mtt -74.97 -51.27 14.11 Favored 'General case' 0 C--O 1.251 1.169 1 O-C-N 115.764 -4.335 . . . . 0.0 110.632 147.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.06 ' HB3' HG22 ' A' ' 10' ' ' ILE . 2.4 t -63.93 -30.04 71.16 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 124.301 2.001 . . . . 0.0 111.848 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.1 m0 -47.48 -86.0 0.0 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 119.164 -2.21 . . . . 0.0 106.574 164.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.733 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 21.9 mttt -53.97 -15.88 1.61 Allowed 'General case' 1 C--O 1.367 7.264 1 CA-C-O 107.018 -6.23 . . . . 0.0 111.317 -161.602 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.1 mptt -115.47 -7.46 12.26 Favored 'General case' 0 C--O 1.287 3.037 2 O-C-N 106.574 -10.079 . . . . 0.0 124.28 176.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 7.7 t -48.25 -28.36 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 O-C-N 117.492 -3.255 . . . . 0.0 108.913 140.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.51 73.25 1.28 Allowed Glycine 1 CA--C 1.605 5.691 1 N-CA-C 102.587 -4.205 . . . . 0.0 102.587 -172.213 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.733 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.957 0.0 OUTLIER -29.76 134.39 0.05 OUTLIER 'General case' 0 N--CA 1.414 -2.243 1 N-CA-C 144.737 12.495 . . . . 0.0 144.737 -137.351 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.766 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 77.65 -144.36 0.02 OUTLIER 'General case' 0 C--N 1.401 2.824 1 O-C-N 115.95 -4.219 . . . . 0.0 110.779 150.125 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.531 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 117.951 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.7 mt 67.22 178.01 0.23 Allowed 'General case' 0 C--O 1.25 1.103 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.833 166.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.6 m -90.59 145.09 25.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 119.982 -1.699 . . . . 0.0 112.647 -132.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -110.52 80.2 1.28 Allowed 'General case' 0 C--O 1.249 1.047 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.331 173.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.277 34.6 t -73.04 14.01 0.34 Allowed 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.902 -1.124 . . . . 0.0 110.271 152.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' H ' ' C ' ' A' ' 4' ' ' ASN . 3.3 t-20 -121.08 1.71 10.36 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 119.05 -2.281 . . . . 0.0 111.873 175.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -174.5 3.24 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 120.312 -1.493 . . . . 0.0 107.582 145.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 pt -154.44 25.25 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 112.117 -2.31 . . . . 0.0 110.1 170.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.9 64.16 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 146.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.916 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.68 0.3 OUTLIER -57.18 142.59 74.86 Favored Pre-proline 0 CA--C 1.5 -0.95 0 CA-C-N 111.883 -2.417 . . . . 0.0 111.059 -161.577 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.844 ' HD2' HG22 ' A' ' 10' ' ' ILE . 33.2 Cg_exo -58.1 141.01 96.16 Favored 'Trans proline' 0 C--N 1.382 2.29 0 CA-C-O 115.703 -1.874 . . . . 0.0 108.499 154.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.636 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.352 0.0 OUTLIER -103.1 -8.17 20.73 Favored 'General case' 0 N--CA 1.53 3.54 0 C-N-CA 118.406 -1.317 . . . . 0.0 109.339 -134.202 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 mtt -59.63 -53.36 58.89 Favored 'General case' 0 C--O 1.249 1.056 1 O-C-N 115.964 -4.21 . . . . 0.0 110.394 141.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 77.6 m -61.3 -19.1 61.37 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 119.307 -2.121 . . . . 0.0 110.357 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.916 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.258 41.3 m0 -72.54 -62.24 1.52 Allowed 'General case' 0 CA--C 1.596 2.75 0 O-C-N 119.245 -2.159 . . . . 0.0 106.471 179.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -59.34 -13.68 9.02 Favored 'General case' 1 C--O 1.32 4.808 1 CA-C-O 106.422 -6.513 . . . . 0.0 110.585 -173.433 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 15' ' ' TRP . 1.3 mptt -125.6 1.52 7.56 Favored 'General case' 0 C--N 1.413 3.338 2 O-C-N 105.987 -10.446 . . . . 0.0 117.171 -174.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.923 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.1 t -59.25 -29.39 67.51 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 125.452 1.501 . . . . 0.0 108.825 138.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 98.54 42.19 2.99 Favored Glycine 0 CA--C 1.573 3.705 0 O-C-N 117.867 -3.021 . . . . 0.0 109.55 -176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.923 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.18 -128.07 0.01 OUTLIER 'General case' 0 C--O 1.284 2.918 0 N-CA-C 119.063 2.986 . . . . 0.0 119.063 -122.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.818 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 78.75 121.29 0.05 OUTLIER 'General case' 0 N--CA 1.428 -1.557 1 O-C-N 113.991 -5.443 . . . . 0.0 112.714 -131.357 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.383 0 CA-C-N 112.342 -2.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.821 ' O ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.564 0.697 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -129.24 -176.0 3.74 Favored 'General case' 0 C--O 1.249 1.032 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.055 -174.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -60.48 119.44 8.03 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.081 -1.012 . . . . 0.0 112.159 -144.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -107.9 79.64 1.3 Allowed 'General case' 0 C--O 1.241 0.627 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.815 170.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.278 47.4 t -66.08 -2.44 4.13 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.906 154.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.432 ' HB3' ' ND2' ' A' ' 4' ' ' ASN . 1.4 t-20 -102.22 -15.16 16.73 Favored 'General case' 0 C--O 1.255 1.36 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.74 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -101.21 154.61 18.61 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 151.092 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.59 55.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 118.951 -2.343 . . . . 0.0 111.243 -168.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.77 84.47 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 114.042 -1.435 . . . . 0.0 108.359 147.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.92 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.673 0.1 OUTLIER -75.77 136.29 70.62 Favored Pre-proline 0 C--O 1.25 1.13 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.43 -154.37 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.92 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.394 31.4 Cg_endo -68.43 147.92 72.26 Favored 'Trans proline' 0 N--CA 1.509 2.423 0 C-N-CA 114.626 -3.116 . . . . 0.0 108.308 159.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.796 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.439 0.0 OUTLIER -103.79 7.16 37.09 Favored 'General case' 2 N--CA 1.541 4.108 0 O-C-N 116.966 -3.584 . . . . 0.0 111.343 -125.5 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.2 mtt -93.97 -18.85 21.47 Favored 'General case' 0 C--N 1.372 1.568 1 O-C-N 112.974 -6.079 . . . . 0.0 111.377 156.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 93.9 m -96.06 -21.65 17.84 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 118.631 -2.543 . . . . 0.0 109.079 -178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.796 ' HB2' ' HA ' ' A' ' 12' ' ' HIS . 3.0 m95 -44.47 -95.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 O-C-N 117.522 -3.237 . . . . 0.0 107.379 140.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.738 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 38.2 mttt -48.07 -19.14 0.24 Allowed 'General case' 1 C--O 1.366 7.217 1 CA-C-O 107.198 -6.144 . . . . 0.0 111.394 -155.031 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 15' ' ' TRP . 7.2 mptt -112.99 -9.6 13.58 Favored 'General case' 0 C--O 1.286 2.984 2 O-C-N 106.875 -9.891 . . . . 0.0 123.648 176.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 12.1 t -45.71 -29.91 1.42 Allowed 'General case' 0 C--N 1.308 -1.231 0 O-C-N 117.192 -3.443 . . . . 0.0 108.785 141.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.49 76.11 1.16 Allowed Glycine 1 CA--C 1.596 5.124 0 N-CA-C 103.875 -3.69 . . . . 0.0 103.875 -166.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.875 0.0 OUTLIER -36.08 134.92 0.37 Allowed 'General case' 0 CA--C 1.469 -2.17 1 N-CA-C 142.543 11.682 . . . . 0.0 142.543 -139.175 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.689 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.7 tptp 78.03 -136.46 0.02 OUTLIER 'General case' 0 C--N 1.395 2.559 1 O-C-N 115.214 -4.679 . . . . 0.0 112.139 148.493 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.49 ' N ' ' HD2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.339 0.122 0 O-C-N 117.942 -2.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -163.89 174.61 11.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.823 -170.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.56 132.13 50.26 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 -149.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -129.07 104.31 7.49 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 112.813 -1.994 . . . . 0.0 107.726 -174.575 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.26 20.6 t -74.83 18.03 0.19 Allowed 'General case' 0 C--O 1.249 1.038 0 O-C-N 120.535 -1.353 . . . . 0.0 110.455 150.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.4 t-20 -125.07 -3.85 7.53 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.952 176.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -93.79 -178.03 4.55 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 146.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -149.85 35.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 112.787 -2.006 . . . . 0.0 110.082 165.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 9' ' ' ILE . 81.8 mt -109.53 66.29 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 145.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.887 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.77 0.2 OUTLIER -62.18 140.22 96.13 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-O 124.65 2.167 . . . . 0.0 109.25 -157.482 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.847 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.51 60.8 Cg_endo -70.68 159.38 52.91 Favored 'Trans proline' 0 N--CA 1.521 3.144 0 C-N-CA 114.346 -3.303 . . . . 0.0 107.531 153.538 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.377 0.0 OUTLIER -119.76 -6.08 10.14 Favored 'General case' 1 C--O 1.305 4.024 1 O-C-N 115.317 -4.615 . . . . 0.0 110.462 -125.557 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 mtt -79.57 -31.39 41.89 Favored 'General case' 0 C--O 1.243 0.736 1 O-C-N 115.342 -4.599 . . . . 0.0 110.075 145.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.7 m -63.61 -31.23 72.34 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 126.779 2.032 . . . . 0.0 109.36 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.887 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 45.2 m0 -70.71 -62.76 1.27 Allowed 'General case' 0 CA--C 1.588 2.435 0 O-C-N 119.284 -2.135 . . . . 0.0 106.103 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -57.95 -13.73 5.06 Favored 'General case' 1 C--O 1.322 4.917 1 CA-C-O 106.55 -6.452 . . . . 0.0 111.398 -171.621 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -128.88 0.61 5.35 Favored 'General case' 0 C--N 1.416 3.491 2 O-C-N 105.314 -10.867 . . . . 0.0 115.058 -173.067 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 9.9 t -55.08 -30.2 59.16 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 119.655 -1.903 . . . . 0.0 108.958 137.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.481 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 95.5 45.18 3.03 Favored Glycine 0 CA--C 1.57 3.485 0 CA-C-O 124.362 2.09 . . . . 0.0 109.923 -176.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -167.23 -130.07 0.02 OUTLIER 'General case' 0 C--O 1.287 3.057 0 N-CA-C 119.185 3.032 . . . . 0.0 119.185 -123.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.291 0.0 OUTLIER 84.81 121.01 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.789 1 O-C-N 113.996 -5.44 . . . . 0.0 112.809 -137.167 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.459 0 CA-C-N 111.727 -2.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 121.148 0.499 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER 63.02 -179.27 0.15 Allowed 'General case' 0 C--O 1.247 0.951 0 CA-C-O 117.985 -1.007 . . . . 0.0 109.589 -165.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.5 t -58.34 126.85 29.3 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.459 -145.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -130.04 92.76 3.36 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 109.567 -3.469 . . . . 0.0 109.406 164.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.352 44.7 t -64.96 -1.59 2.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.749 161.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 4' ' ' ASN . 1.6 t-20 -105.73 -17.47 14.38 Favored 'General case' 0 C--O 1.245 0.824 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.334 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.674 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -93.63 146.5 23.77 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 153.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.6 tp -126.26 38.01 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.964 0 O-C-N 118.902 -2.374 . . . . 0.0 110.548 -166.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.38 102.5 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 144.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.073 HG13 ' HA ' ' A' ' 15' ' ' TRP 0.648 22.1 pt -95.75 122.31 59.1 Favored Pre-proline 0 C--O 1.283 2.819 0 CA-C-O 117.197 -1.382 . . . . 0.0 108.447 -148.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.713 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.271 0.1 OUTLIER -66.78 134.56 35.32 Favored 'Trans proline' 0 C--O 1.278 2.485 0 O-C-N 113.725 -3.882 . . . . 0.0 107.376 166.921 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -96.56 9.68 40.75 Favored 'General case' 0 C--O 1.275 2.436 0 O-C-N 117.984 -2.948 . . . . 0.0 111.437 -125.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.2 mtt -73.36 -45.05 57.33 Favored 'General case' 0 C--O 1.259 1.566 0 O-C-N 117.577 -3.202 . . . . 0.0 110.756 151.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.068 ' HB3' HG22 ' A' ' 10' ' ' ILE . 1.8 t -61.06 -26.22 67.48 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 120.608 -1.307 . . . . 0.0 109.981 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 1.073 ' HA ' HG13 ' A' ' 10' ' ' ILE 0.268 24.1 m0 -67.6 -60.49 2.51 Favored 'General case' 0 CA--C 1.619 3.61 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -169.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.13 -8.71 13.03 Favored 'General case' 1 C--O 1.311 4.298 1 CA-C-O 107.587 -5.958 . . . . 0.0 111.297 -173.805 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -133.08 2.21 3.6 Favored 'General case' 0 C--N 1.426 3.898 2 O-C-N 107.001 -9.812 . . . . 0.0 115.527 -173.828 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.945 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.5 t -51.71 -33.36 34.05 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 118.817 -2.427 . . . . 0.0 109.448 130.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.428 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 101.2 42.89 2.3 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 118.746 -2.471 . . . . 0.0 109.075 -176.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.945 ' HB2' ' HB3' ' A' ' 18' ' ' CYS 0.273 0.0 OUTLIER -167.11 -128.11 0.01 OUTLIER 'General case' 0 C--O 1.287 3.044 0 N-CA-C 121.264 3.801 . . . . 0.0 121.264 -126.678 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER 84.13 179.85 0.04 OUTLIER 'General case' 0 CA--C 1.568 1.65 1 O-C-N 114.077 -5.389 . . . . 0.0 108.425 -119.672 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.342 0.243 0 CA-C-N 111.339 -2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 120.985 0.421 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -169.36 -178.22 3.06 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-O 116.275 -1.822 . . . . 0.0 109.932 -167.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 t -54.98 130.5 41.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.02 -1.05 . . . . 0.0 110.775 -138.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.69 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -133.87 89.36 2.57 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 109.462 -3.517 . . . . 0.0 110.158 165.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.322 31.0 t -68.27 1.66 2.77 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.588 163.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -100.77 -22.13 14.97 Favored 'General case' 0 C--O 1.248 0.985 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.157 176.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -89.37 150.58 22.49 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 147.274 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 21' ' ' LYS 0.282 0.0 OUTLIER -135.48 53.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.162 0 O-C-N 117.159 -3.463 . . . . 0.0 109.599 -177.785 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.34 80.62 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 148.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.075 HG22 ' HB3' ' A' ' 14' ' ' CYS 0.626 0.5 OUTLIER -85.06 127.58 63.82 Favored Pre-proline 0 C--O 1.285 2.968 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.518 -142.977 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.677 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.262 0.1 OUTLIER -67.4 130.72 23.04 Favored 'Trans proline' 0 C--O 1.269 2.074 0 O-C-N 113.998 -3.738 . . . . 0.0 107.512 168.648 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.714 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.285 0.0 OUTLIER -92.57 20.44 6.32 Favored 'General case' 0 C--O 1.282 2.802 0 O-C-N 119.258 -2.151 . . . . 0.0 112.022 -132.044 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mmt -74.74 -51.95 12.83 Favored 'General case' 0 C--N 1.353 0.755 1 O-C-N 115.972 -4.205 . . . . 0.0 109.46 146.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.075 ' HB3' HG22 ' A' ' 10' ' ' ILE . 3.5 t -63.42 -29.78 71.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 123.83 1.776 . . . . 0.0 110.497 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.797 ' HA ' HG13 ' A' ' 10' ' ' ILE . 3.2 m0 -49.12 -86.51 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 165.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.731 ' HA ' ' HB3' ' A' ' 20' ' ' LYS . 48.1 mttt -55.52 -14.89 2.28 Favored 'General case' 1 C--O 1.367 7.284 1 CA-C-O 106.953 -6.261 . . . . 0.0 110.927 -158.476 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.39 -9.69 11.45 Favored 'General case' 0 C--O 1.286 3.024 2 O-C-N 106.831 -9.918 . . . . 0.0 124.273 176.157 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' CYS . 9.9 t -45.54 -29.6 1.22 Allowed 'General case' 0 CA--C 1.55 0.978 0 O-C-N 117.287 -3.383 . . . . 0.0 108.773 141.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.4 72.83 1.28 Allowed Glycine 1 CA--C 1.611 6.035 1 N-CA-C 102.506 -4.238 . . . . 0.0 102.506 -175.675 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.731 ' HB3' ' HA ' ' A' ' 16' ' ' LYS 0.953 0.0 OUTLIER -29.16 135.31 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.3 1 N-CA-C 143.994 12.22 . . . . 0.0 143.994 -136.556 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 8' ' ' ILE . 16.2 tttt 78.07 -146.77 0.02 OUTLIER 'General case' 0 C--N 1.401 2.826 0 O-C-N 116.391 -3.943 . . . . 0.0 110.621 148.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.559 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.337 0.026 0 O-C-N 118.174 -2.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.35 161.67 10.04 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -162.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.4 137.09 40.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.543 -0.723 . . . . 0.0 110.648 -139.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.535 ' HB3' ' HB2' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -125.73 98.88 5.73 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 112.971 -1.922 . . . . 0.0 108.824 -174.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.344 53.7 t -74.69 15.68 0.35 Allowed 'General case' 0 C--O 1.262 1.746 0 O-C-N 120.828 -1.17 . . . . 0.0 110.031 154.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.6 OUTLIER -126.42 -14.37 5.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 117.911 -2.993 . . . . 0.0 111.119 177.514 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.09 146.32 25.67 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 106.625 -1.621 . . . . 0.0 106.625 157.082 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.563 ' N ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.43 44.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-N 113.065 -1.88 . . . . 0.0 110.476 -164.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.28 71.69 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 143.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.88 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.705 0.3 OUTLIER -61.17 130.05 91.17 Favored Pre-proline 0 C--O 1.264 1.85 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.079 -149.117 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.803 ' HD2' ' HB2' ' A' ' 14' ' ' CYS 0.334 80.7 Cg_endo -63.39 134.4 44.79 Favored 'Trans proline' 0 C--N 1.381 2.263 0 O-C-N 113.573 -3.961 . . . . 0.0 109.197 162.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 15' ' ' TRP 0.392 0.0 OUTLIER -93.53 -2.39 54.38 Favored 'General case' 0 C--O 1.282 2.794 1 O-C-N 115.856 -4.277 . . . . 0.0 115.883 -126.908 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -77.35 -29.45 53.4 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 117.242 -3.411 . . . . 0.0 109.84 159.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.803 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 2.8 m -68.0 -35.55 78.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 O-C-N 119.051 -2.28 . . . . 0.0 108.543 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.88 ' HA ' ' CG1' ' A' ' 10' ' ' ILE 0.255 54.6 m0 -53.93 -66.26 0.43 Allowed 'General case' 0 N--CA 1.415 -2.208 0 C-N-CA 125.6 1.56 . . . . 0.0 108.965 173.027 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -58.7 -13.55 6.25 Favored 'General case' 1 C--O 1.326 5.128 1 CA-C-O 106.374 -6.536 . . . . 0.0 110.889 -171.997 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -124.1 2.73 8.62 Favored 'General case' 0 C--N 1.417 3.502 2 O-C-N 105.47 -10.769 . . . . 0.0 116.994 -176.875 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 146.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.18 42.98 2.29 Favored Glycine 1 CA--C 1.631 7.295 0 CA-C-O 114.349 -3.473 . . . . 0.0 105.603 173.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.955 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -171.65 -131.92 0.01 OUTLIER 'General case' 0 C--N 1.395 2.562 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -119.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.799 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.318 10.4 ptmt 88.55 105.74 0.03 OUTLIER 'General case' 0 N--CA 1.412 -2.342 1 O-C-N 114.52 -5.112 . . . . 0.0 114.399 -135.109 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.326 0 CA-C-N 111.719 -2.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' N ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.759 0.79 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -166.16 176.82 7.34 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.184 177.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.4 t -62.84 124.88 22.19 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -155.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.54 ' C ' ' H ' ' A' ' 6' ' ' ASN . 6.7 t-20 -140.27 101.09 4.05 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 110.303 -3.135 . . . . 0.0 110.692 160.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.281 42.7 t -72.04 11.91 0.49 Allowed 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.126 162.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.5 OUTLIER -123.04 -15.45 7.31 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 113.545 -1.662 . . . . 0.0 110.955 -179.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 155.67 16.8 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 153.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 tp -106.83 15.11 7.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.493 -146.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.4 mt -147.05 103.99 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.728 173.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.772 0.1 OUTLIER -86.08 126.6 64.8 Favored Pre-proline 0 C--O 1.266 1.943 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -147.127 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.725 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.323 15.8 Cg_endo -63.47 128.54 22.71 Favored 'Trans proline' 0 C--O 1.286 2.896 0 C-N-CA 115.126 -2.783 . . . . 0.0 108.571 159.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.611 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.296 0.0 OUTLIER -94.41 3.53 55.05 Favored 'General case' 0 C--O 1.274 2.362 0 O-C-N 116.654 -3.779 . . . . 0.0 110.305 -130.738 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.401 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 30.0 mtt -55.54 -52.29 64.2 Favored 'General case' 0 C--O 1.255 1.347 1 O-C-N 116.217 -4.052 . . . . 0.0 111.398 142.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.786 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -59.6 -38.37 81.08 Favored 'General case' 0 C--O 1.282 2.797 0 O-C-N 120.414 -1.429 . . . . 0.0 111.541 174.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 26.8 m0 -50.56 -59.73 3.74 Favored 'General case' 0 CA--C 1.598 2.814 1 O-C-N 116.152 -4.092 . . . . 0.0 108.946 -174.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 17' ' ' LYS 0.262 13.5 mttt -63.72 -12.56 35.74 Favored 'General case' 1 C--O 1.31 4.252 2 CA-C-O 107.778 -5.868 . . . . 0.0 112.035 176.932 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 14' ' ' CYS . 7.5 mmtp -137.14 10.14 3.02 Favored 'General case' 0 C--N 1.423 3.784 2 O-C-N 106.679 -10.013 . . . . 0.0 115.441 -171.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 4.2 t -49.72 -38.6 33.97 Favored 'General case' 0 C--N 1.286 -2.178 0 O-C-N 116.46 -3.9 . . . . 0.0 108.871 124.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 102.93 42.01 2.18 Favored Glycine 1 CA--C 1.582 4.251 0 O-C-N 119.412 -2.055 . . . . 0.0 108.013 -175.221 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.891 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.15 -119.66 0.01 OUTLIER 'General case' 0 C--O 1.288 3.12 0 N-CA-C 121.624 3.935 . . . . 0.0 121.624 -127.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.664 ' HG2' ' CD2' ' A' ' 15' ' ' TRP 0.259 1.0 OUTLIER 91.42 173.55 0.02 OUTLIER 'General case' 0 CA--C 1.582 2.19 1 O-C-N 113.476 -5.765 . . . . 0.0 109.403 -125.144 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.428 0 CA-C-N 110.355 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.64 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 121.527 0.68 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 1' ' ' ALA . 3.5 mt -114.14 168.0 10.2 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.335 172.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.6 0.0 OUTLIER -44.99 94.95 0.01 OUTLIER 'General case' 0 C--O 1.246 0.874 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 -137.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.807 ' HB3' ' H ' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -63.3 102.01 0.36 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 141.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.286 10.2 t -59.38 -8.53 1.8 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.567 148.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -117.34 -3.6 11.42 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.124 -171.071 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.807 ' H ' ' HB3' ' A' ' 4' ' ' ASN . 0.3 OUTLIER -83.78 147.21 27.72 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 144.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -118.93 52.25 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 CA-C-N 112.979 -1.918 . . . . 0.0 110.058 -158.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -160.94 95.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 114.11 -1.404 . . . . 0.0 110.743 155.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.911 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.835 0.1 OUTLIER -80.54 138.53 51.22 Favored Pre-proline 0 N--CA 1.484 1.236 0 CA-C-O 125.971 2.796 . . . . 0.0 110.518 -151.662 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 10' ' ' ILE . 24.7 Cg_exo -61.71 167.7 9.7 Favored 'Trans proline' 0 C--N 1.386 2.544 0 O-C-N 117.592 -1.846 . . . . 0.0 107.379 147.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 15' ' ' TRP 0.385 0.0 OUTLIER -124.76 -6.08 7.45 Favored 'General case' 1 C--O 1.308 4.161 0 C-N-CA 115.675 -2.41 . . . . 0.0 108.975 -134.313 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.7 mtt -76.19 -41.55 49.23 Favored 'General case' 0 C--N 1.35 0.602 1 O-C-N 114.226 -5.296 . . . . 0.0 109.944 143.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' PRO . 85.2 m -54.17 -31.86 53.87 Favored 'General case' 0 C--N 1.314 -0.977 0 C-N-CA 126.082 1.753 . . . . 0.0 111.053 170.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.911 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 43.0 m0 -73.36 -60.74 2.1 Favored 'General case' 0 CA--C 1.596 2.722 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -174.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -58.32 -11.32 2.65 Favored 'General case' 1 C--O 1.314 4.476 1 CA-C-O 107.159 -6.162 . . . . 0.0 112.008 -174.731 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -129.92 0.08 4.78 Favored 'General case' 0 C--N 1.415 3.432 2 O-C-N 106.424 -10.172 . . . . 0.0 115.734 -174.867 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.1 t -53.97 -30.37 46.66 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 119.113 -2.242 . . . . 0.0 108.445 136.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.82 43.79 3.02 Favored Glycine 0 CA--C 1.574 3.75 0 O-C-N 118.183 -2.823 . . . . 0.0 109.386 -176.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.892 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -168.92 -126.58 0.01 OUTLIER 'General case' 0 C--O 1.289 3.137 0 N-CA-C 120.964 3.69 . . . . 0.0 120.964 -124.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.774 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 79.14 123.24 0.05 OUTLIER 'General case' 0 N--CA 1.419 -1.983 1 O-C-N 113.564 -5.71 . . . . 0.0 111.263 -128.96 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.316 0 CA-C-N 111.147 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 122.323 1.059 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 1' ' ' ALA . 2.3 mt -149.63 -178.18 6.29 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.323 -169.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -56.12 124.66 18.59 Favored 'General case' 0 N--CA 1.484 1.232 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.678 -149.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -135.51 97.08 3.59 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 109.996 -3.274 . . . . 0.0 111.58 163.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.397 44.9 t -67.71 3.11 1.54 Allowed 'General case' 0 C--O 1.251 1.156 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.896 161.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.569 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -102.23 -14.34 17.04 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.27 -1.519 . . . . 0.0 110.827 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -91.93 -175.78 4.22 Favored 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 146.551 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.626 HG12 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -146.02 34.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 113.22 -1.809 . . . . 0.0 108.955 163.608 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.673 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -103.8 77.95 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.736 152.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.808 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.764 0.1 OUTLIER -87.41 128.83 53.56 Favored Pre-proline 0 N--CA 1.494 1.759 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -149.519 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.747 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.335 11.4 Cg_endo -63.4 133.39 39.97 Favored 'Trans proline' 0 C--O 1.281 2.67 0 C-N-CA 115.092 -2.805 . . . . 0.0 108.394 157.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.674 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.3 0.0 OUTLIER -101.99 -1.18 32.39 Favored 'General case' 1 N--CA 1.54 4.048 0 O-C-N 116.722 -3.736 . . . . 0.0 108.546 -125.765 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.451 ' HA ' ' HE3' ' A' ' 17' ' ' LYS . 8.8 mmt -48.14 -56.24 8.34 Favored 'General case' 0 C--O 1.252 1.22 1 O-C-N 115.674 -4.391 . . . . 0.0 112.246 136.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -59.48 -38.57 81.2 Favored 'General case' 0 C--O 1.274 2.385 0 O-C-N 120.815 -1.178 . . . . 0.0 110.513 -179.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.808 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 38.7 m0 -50.2 -61.34 2.22 Favored 'General case' 0 CA--C 1.588 2.417 1 O-C-N 115.898 -4.251 . . . . 0.0 109.646 -177.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -62.09 -13.24 24.68 Favored 'General case' 1 C--O 1.329 5.288 1 CA-C-O 107.215 -6.136 . . . . 0.0 111.097 179.096 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' MET . 6.5 mttt -129.65 9.92 5.54 Favored 'General case' 0 C--N 1.424 3.826 2 O-C-N 104.992 -11.068 . . . . 0.0 115.618 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 4.4 t -70.78 -26.64 63.43 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 119.043 -2.285 . . . . 0.0 107.239 142.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.58 42.88 2.24 Favored Glycine 1 CA--C 1.631 7.296 0 CA-C-O 114.5 -3.389 . . . . 0.0 105.014 172.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.946 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.67 -125.93 0.01 OUTLIER 'General case' 0 C--O 1.282 2.805 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -120.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HA ' HG12 ' A' ' 10' ' ' ILE 0.333 6.0 ptmt 90.01 112.7 0.03 OUTLIER 'General case' 0 N--CA 1.414 -2.246 1 O-C-N 114.258 -5.277 . . . . 0.0 114.036 -136.779 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.505 ' N ' HG12 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.345 0.409 0 CA-C-N 110.945 -2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.831 ' O ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.928 0.394 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -128.9 -172.46 2.73 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.806 -164.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.0 t -57.39 128.63 38.0 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.144 -154.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.576 ' HB3' ' HD2' ' A' ' 7' ' ' ARG . 1.5 t-20 -140.12 97.76 3.3 Favored 'General case' 0 C--N 1.363 1.193 0 CA-C-N 108.762 -3.836 . . . . 0.0 110.888 165.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.318 42.0 t -68.98 5.7 1.09 Allowed 'General case' 0 C--O 1.245 0.847 0 O-C-N 120.972 -1.08 . . . . 0.0 109.971 159.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 4' ' ' ASN . 2.2 t-20 -107.92 -13.38 14.99 Favored 'General case' 0 C--O 1.25 1.087 0 O-C-N 120.508 -1.37 . . . . 0.0 110.778 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.576 ' HD2' ' HB3' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -78.22 -170.0 1.83 Allowed 'General case' 0 CA--C 1.569 1.676 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 141.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.07 HD12 HD13 ' A' ' 10' ' ' ILE . 10.7 tp -146.33 35.72 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.102 154.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 9' ' ' ILE . 95.6 mt -110.77 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.244 158.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.07 HD13 HD12 ' A' ' 8' ' ' ILE 0.723 0.3 OUTLIER -92.89 124.98 56.9 Favored Pre-proline 0 C--O 1.271 2.194 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -147.452 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.318 0.2 OUTLIER -65.26 135.92 45.22 Favored 'Trans proline' 0 C--O 1.277 2.428 0 O-C-N 114.378 -3.538 . . . . 0.0 107.866 159.267 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 15' ' ' TRP 0.284 0.0 OUTLIER -106.84 2.47 25.51 Favored 'General case' 1 N--CA 1.54 4.069 0 O-C-N 117.294 -3.379 . . . . 0.0 108.981 -124.0 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.9 mtt -46.7 -56.11 6.69 Favored 'General case' 0 C--O 1.257 1.452 1 O-C-N 114.876 -4.89 . . . . 0.0 111.979 132.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.006 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.86 -35.73 82.06 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 120.299 -1.501 . . . . 0.0 109.692 -177.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.811 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 1.4 m95 -49.46 -64.86 0.68 Allowed 'General case' 0 CA--C 1.584 2.268 0 O-C-N 117.969 -2.957 . . . . 0.0 108.859 -178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' NZ ' ' CE1' ' A' ' 12' ' ' HIS . 14.3 mttt -63.24 -13.09 33.92 Favored 'General case' 1 C--O 1.325 5.064 1 CA-C-O 106.788 -6.339 . . . . 0.0 110.821 -177.198 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -129.25 -2.6 5.03 Favored 'General case' 0 C--N 1.427 3.959 2 O-C-N 104.856 -11.152 . . . . 0.0 116.764 -171.4 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.002 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 5.4 t -47.11 -32.58 4.32 Favored 'General case' 0 C--N 1.284 -2.252 0 O-C-N 118.037 -2.914 . . . . 0.0 110.117 132.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HG2' ' A' ' 20' ' ' LYS . . . 96.12 44.91 2.94 Favored Glycine 0 CA--C 1.578 3.974 0 O-C-N 118.148 -2.845 . . . . 0.0 108.587 -178.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 1.002 ' HB2' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -170.84 -125.62 0.01 OUTLIER 'General case' 0 C--O 1.282 2.795 0 N-CA-C 118.423 2.749 . . . . 0.0 118.423 -124.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.823 ' HA ' HG12 ' A' ' 10' ' ' ILE . 33.4 tttp 81.45 126.18 0.04 OUTLIER 'General case' 0 N--CA 1.412 -2.326 1 O-C-N 114.23 -5.294 . . . . 0.0 111.62 -131.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.516 ' N ' HG13 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.346 0.425 0 CA-C-N 110.26 -3.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER 62.85 173.72 0.15 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.28 162.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -71.51 91.96 1.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.83 0.824 . . . . 0.0 110.485 -156.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -93.07 84.23 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.097 -176.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.5 m -82.27 19.73 1.16 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.572 -160.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -141.17 -13.66 0.91 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 111.814 -2.448 . . . . 0.0 110.757 177.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.89 155.45 38.72 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 163.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.8 24.67 0.6 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.774 -148.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.51 137.93 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-N 114.193 -1.367 . . . . 0.0 108.799 161.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.972 HG22 ' HD2' ' A' ' 11' ' ' PRO 0.812 0.1 OUTLIER -101.19 137.35 19.67 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-O 124.763 2.22 . . . . 0.0 108.788 -174.033 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.972 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.426 18.0 Cg_endo -70.94 157.63 57.56 Favored 'Trans proline' 0 N--CA 1.524 3.296 0 C-N-CA 113.805 -3.663 . . . . 0.0 107.576 148.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' HB3' ' CD2' ' A' ' 15' ' ' TRP 0.408 0.0 OUTLIER -120.8 5.88 10.47 Favored 'General case' 1 C--O 1.316 4.576 0 O-C-N 116.728 -3.732 . . . . 0.0 112.342 -132.345 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 mtt -74.47 -41.1 61.35 Favored 'General case' 0 C--O 1.249 1.055 1 O-C-N 113.981 -5.449 . . . . 0.0 108.186 140.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HB2' ' HD2' ' A' ' 11' ' ' PRO 0.263 61.3 m -57.42 -41.96 81.42 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 114.94 -2.457 . . . . 0.0 110.156 172.244 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.85 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 27.5 m0 -56.52 -57.38 12.58 Favored 'General case' 0 CA--C 1.594 2.663 0 O-C-N 116.906 -3.621 . . . . 0.0 109.212 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -72.66 -3.11 22.97 Favored 'General case' 0 C--O 1.301 3.766 1 CA-C-O 107.482 -6.009 . . . . 0.0 111.759 -169.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.64 -11.85 1.02 Allowed 'General case' 0 C--O 1.297 3.559 2 O-C-N 111.842 -6.786 . . . . 0.0 115.938 -175.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.595 ' SG ' HG21 ' A' ' 10' ' ' ILE . 84.8 m -38.3 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.693 1 O-C-N 115.283 -4.635 . . . . 0.0 109.827 131.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.466 ' N ' ' CB ' ' A' ' 20' ' ' LYS . . . 106.41 46.26 1.16 Allowed Glycine 1 CA--C 1.647 8.335 0 O-C-N 116.328 -3.983 . . . . 0.0 103.894 149.554 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.691 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -172.71 -126.22 0.01 OUTLIER 'General case' 0 C--O 1.281 2.739 0 CA-C-N 108.217 -3.992 . . . . 0.0 120.753 -117.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 10' ' ' ILE . 6.8 ptpt 76.18 128.86 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.02 1 O-C-N 113.642 -5.661 . . . . 0.0 113.523 -132.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 CA-C-N 112.522 -2.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.781 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -160.65 177.81 10.11 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -155.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.4 t -56.8 120.92 8.68 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.218 -151.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.549 HD22 ' H ' ' A' ' 6' ' ' ASN . 0.2 OUTLIER -136.23 99.27 4.07 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 109.089 -3.687 . . . . 0.0 110.066 161.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.408 12.6 t -61.67 -7.87 3.93 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 169.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.549 ' H ' HD22 ' A' ' 4' ' ' ASN . 1.9 t-20 -102.52 -13.25 17.28 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.039 -175.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' NH2' ' ND2' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -98.3 148.26 23.82 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 150.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 10' ' ' ILE . 8.2 tp -129.09 44.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 118.972 -2.33 . . . . 0.0 110.516 -169.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.2 80.96 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 144.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.795 ' CG1' ' HA ' ' A' ' 15' ' ' TRP 0.762 0.1 OUTLIER -74.67 129.13 84.28 Favored Pre-proline 0 C--O 1.271 2.225 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.614 -149.653 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.735 ' HD2' HG22 ' A' ' 10' ' ' ILE 0.339 20.6 Cg_endo -63.9 130.84 28.83 Favored 'Trans proline' 0 C--O 1.283 2.745 0 O-C-N 114.603 -3.419 . . . . 0.0 108.694 159.087 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 15' ' ' TRP 0.31 0.0 OUTLIER -96.13 5.83 50.19 Favored 'General case' 0 C--O 1.276 2.484 0 O-C-N 116.599 -3.813 . . . . 0.0 110.727 -130.119 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.3 mtt -64.5 -44.41 91.01 Favored 'General case' 0 C--O 1.256 1.404 1 O-C-N 115.936 -4.227 . . . . 0.0 111.046 146.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HB3' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.24 -43.2 96.29 Favored 'General case' 0 C--O 1.28 2.709 0 O-C-N 120.594 -1.316 . . . . 0.0 110.678 172.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 39.4 m0 -48.72 -61.54 1.98 Allowed 'General case' 0 CA--C 1.591 2.526 1 O-C-N 115.343 -4.598 . . . . 0.0 109.491 -175.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -61.97 -12.72 19.89 Favored 'General case' 1 C--O 1.323 4.953 1 CA-C-O 107.78 -5.867 . . . . 0.0 111.585 178.982 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -126.73 -1.32 6.7 Favored 'General case' 0 C--N 1.422 3.738 2 O-C-N 105.282 -10.886 . . . . 0.0 115.935 -172.602 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 2.7 t -60.5 -28.12 68.13 Favored 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 125.472 1.509 . . . . 0.0 107.769 143.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.98 43.68 2.19 Favored Glycine 1 CA--C 1.632 7.363 0 CA-C-O 114.619 -3.323 . . . . 0.0 104.799 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.967 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -172.32 -128.56 0.01 OUTLIER 'General case' 0 C--N 1.394 2.526 0 CA-C-N 110.173 -3.014 . . . . 0.0 118.843 -119.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HA ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER 90.08 108.05 0.03 OUTLIER 'General case' 0 N--CA 1.41 -2.442 1 O-C-N 115.249 -4.657 . . . . 0.0 112.84 -138.353 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.49 ' N ' HD11 ' A' ' 8' ' ' ILE . . . . . . . . 0 C--N 1.341 0.209 0 CA-C-N 111.466 -2.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 121.2 0.524 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.39 140.08 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.49 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 65.4 m -113.1 113.42 25.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.521 -173.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -111.26 95.81 5.75 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.044 -169.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 86.6 m -96.53 36.68 1.34 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.181 -162.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.34 -22.56 11.99 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.474 -2.148 . . . . 0.0 111.232 164.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -67.95 139.3 56.39 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 154.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 8' ' ' ILE . 3.1 mm -109.38 24.43 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 117.305 -1.758 . . . . 0.0 107.961 164.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' N ' HG12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -140.3 85.77 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.207 0 CA-C-N 113.772 -1.558 . . . . 0.0 107.646 -177.745 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 11' ' ' PRO 0.259 0.0 OUTLIER -133.91 158.48 75.32 Favored Pre-proline 0 N--CA 1.485 1.281 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.413 -137.898 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.757 ' O ' HG22 ' A' ' 10' ' ' ILE . 34.3 Cg_exo -59.46 168.23 5.4 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 161.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 13' ' ' MET 0.282 25.1 p-80 -88.37 -62.34 1.51 Allowed 'General case' 0 C--O 1.253 1.239 0 C-N-CA 118.261 -1.376 . . . . 0.0 113.418 -145.279 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.534 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 25.6 mtp -58.54 -24.78 61.47 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 120.783 -1.198 . . . . 0.0 109.434 169.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.9 m -59.84 -49.84 76.13 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 111.619 -2.537 . . . . 0.0 111.086 171.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.635 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -66.69 -43.91 83.15 Favored 'General case' 0 CA--C 1.558 1.257 0 O-C-N 120.189 -1.569 . . . . 0.0 108.393 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG3' ' CZ3' ' A' ' 15' ' ' TRP . 1.9 mtmp? -60.54 -21.49 62.58 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-O 116.052 -1.928 . . . . 0.0 110.562 -164.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 -25.75 8.61 Favored 'General case' 0 C--O 1.266 1.953 0 N-CA-C 119.074 2.99 . . . . 0.0 119.074 173.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.4 m -41.51 -48.52 3.93 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 118.073 -2.892 . . . . 0.0 111.462 154.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.48 41.59 0.02 OUTLIER Glycine 0 CA--C 1.548 2.143 0 CA-C-N 112.14 -2.3 . . . . 0.0 108.331 165.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 45.5 77.07 0.08 Allowed 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 111.064 -2.568 . . . . 0.0 116.385 -169.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.62 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.3 tttt 84.69 -166.09 0.01 OUTLIER 'General case' 0 C--O 1.25 1.115 0 O-C-N 118.483 -2.635 . . . . 0.0 109.344 149.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 115.165 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.8 170.5 0.09 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.07 -160.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.9 t -96.22 125.67 40.9 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.698 -153.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.3 OUTLIER -133.48 90.79 2.77 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 111.357 -2.656 . . . . 0.0 110.597 161.373 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.311 48.4 t -73.44 12.31 0.63 Allowed 'General case' 0 C--O 1.251 1.141 0 CA-C-N 113.664 -1.607 . . . . 0.0 110.259 160.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.508 ' HB3' ' NH2' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -77.32 -39.73 46.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 113.518 -1.674 . . . . 0.0 111.482 165.221 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.508 ' NH2' ' HB3' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -97.81 133.2 42.64 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 165.043 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 8' ' ' ILE . 6.3 tp -95.15 -29.05 4.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 113.149 -1.842 . . . . 0.0 109.713 -166.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.2 mp -69.72 87.6 0.23 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.267 151.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.606 HG22 ' HB3' ' A' ' 14' ' ' CYS . 7.9 pt -121.76 158.43 54.44 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 121.209 0.528 . . . . 0.0 110.952 -148.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 51.8 Cg_exo -61.13 167.59 8.9 Favored 'Trans proline' 0 C--N 1.362 1.249 0 N-CA-C 110.854 -0.479 . . . . 0.0 110.854 166.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 28.0 p-80 -93.5 -52.59 4.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.238 -145.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ptp -61.38 -24.87 66.8 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' HB3' HG22 ' A' ' 10' ' ' ILE . 5.7 t -61.65 -52.1 65.72 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.919 171.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.597 ' HB2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.84 -45.22 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HG2' ' HG2' ' A' ' 20' ' ' LYS . 16.2 mtmt -63.5 -18.28 63.64 Favored 'General case' 0 C--O 1.263 1.768 0 CA-C-O 115.75 -2.071 . . . . 0.0 110.506 -166.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -116.88 -21.44 8.98 Favored 'General case' 0 C--O 1.273 2.295 0 O-C-N 117.327 -3.358 . . . . 0.0 119.784 173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 t -38.33 -48.14 1.29 Allowed 'General case' 0 C--N 1.322 -0.587 0 O-C-N 117.165 -3.459 . . . . 0.0 110.755 147.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.05 38.81 0.06 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 111.72 -2.491 . . . . 0.0 109.438 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HD3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 42.16 76.38 0.07 Allowed 'General case' 0 CA--C 1.491 -1.302 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -172.064 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.597 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 1.8 ttpp 85.65 -177.0 0.02 OUTLIER 'General case' 0 C--O 1.249 1.038 0 O-C-N 117.94 -2.975 . . . . 0.0 111.028 148.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.105 0 CA-C-N 113.178 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.8 mt 60.47 174.48 0.1 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.16 -163.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.6 m -117.43 109.36 16.67 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -150.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.79 120.5 18.38 Favored 'General case' 0 C--O 1.249 1.065 0 CA-C-N 112.387 -2.188 . . . . 0.0 109.237 170.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.6 t -76.77 13.65 0.98 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.843 157.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 7' ' ' ARG . 19.4 t-20 -77.66 -1.82 32.91 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.822 167.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -126.2 176.18 7.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.288 -1.323 . . . . 0.0 110.319 162.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.684 ' HA ' HD13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -139.65 27.12 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.767 160.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.88 94.57 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 159.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.684 HD13 ' HA ' ' A' ' 8' ' ' ILE . 5.1 pt -146.06 151.99 46.28 Favored Pre-proline 0 C--O 1.271 2.21 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.344 -140.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.274 9.5 Cg_endo -67.87 164.59 31.03 Favored 'Trans proline' 0 C--N 1.364 1.346 0 O-C-N 116.84 -2.242 . . . . 0.0 108.936 174.159 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP . 11.8 p-80 -83.73 -59.4 2.44 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.163 -1.586 . . . . 0.0 114.111 -134.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 12' ' ' HIS . 31.0 mtm -57.18 -16.23 7.5 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.736 -1.228 . . . . 0.0 110.144 170.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -85.62 -34.94 21.26 Favored 'General case' 0 C--O 1.249 1.078 0 O-C-N 118.27 -2.769 . . . . 0.0 112.26 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.646 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.276 0.0 OUTLIER -59.06 -60.16 4.31 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.007 159.123 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HA ' ' CA ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -55.79 -18.02 7.51 Favored 'General case' 0 C--O 1.249 1.031 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.864 -158.089 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -112.32 -17.59 12.7 Favored 'General case' 0 C--O 1.275 2.433 0 N-CA-C 119.912 3.301 . . . . 0.0 119.912 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 t -44.68 -54.19 6.48 Favored 'General case' 0 CA--C 1.558 1.284 0 O-C-N 117.243 -3.41 . . . . 0.0 109.198 147.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.45 30.68 0.03 OUTLIER Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.033 -2.803 . . . . 0.0 110.423 -168.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HG2' ' CE3' ' A' ' 15' ' ' TRP . 0.7 OUTLIER 45.39 68.81 0.52 Allowed 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -178.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.566 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 87.77 -172.71 0.01 OUTLIER 'General case' 0 C--O 1.246 0.875 0 O-C-N 118.119 -2.863 . . . . 0.0 111.436 142.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.132 0 CA-C-N 114.083 -1.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 121.102 0.477 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 mt -118.43 -172.37 2.26 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.337 172.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.09 152.76 21.47 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.201 -0.937 . . . . 0.0 111.642 -142.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -142.47 109.01 5.33 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-N 113.319 -1.764 . . . . 0.0 109.829 -172.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.07 9.72 1.84 Allowed 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.816 -1.178 . . . . 0.0 110.442 150.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -13.91 5.88 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.699 161.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.97 134.12 18.25 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 119.01 -2.306 . . . . 0.0 108.505 -169.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.613 ' HA ' HD13 ' A' ' 10' ' ' ILE . 10.3 tt -112.25 25.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 119.707 -1.871 . . . . 0.0 109.859 -174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -140.78 92.09 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.523 155.591 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' CD1' ' HA ' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -135.32 162.26 58.46 Favored Pre-proline 0 N--CA 1.494 1.759 0 CA-C-O 121.645 0.736 . . . . 0.0 110.325 -138.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 10' ' ' ILE . 53.2 Cg_exo -62.11 167.84 10.12 Favored 'Trans proline' 0 C--N 1.365 1.395 0 N-CA-C 110.225 -0.721 . . . . 0.0 110.225 165.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.284 2.4 p-80 -85.61 -61.75 1.69 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 118.95 -1.1 . . . . 0.0 112.661 -139.468 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.9 mmt -60.95 -15.3 29.79 Favored 'General case' 0 C--O 1.249 1.066 0 O-C-N 121.124 -0.985 . . . . 0.0 109.873 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 75.6 m -76.87 -38.94 52.72 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 119.266 -2.146 . . . . 0.0 110.535 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.627 ' HA ' ' CD1' ' A' ' 10' ' ' ILE 0.272 0.3 OUTLIER -59.99 -63.79 1.18 Allowed 'General case' 0 CA--C 1.55 0.97 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.455 160.314 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -54.13 -17.73 3.04 Favored 'General case' 0 C--O 1.265 1.918 0 CA-C-O 115.381 -2.247 . . . . 0.0 110.769 -153.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.38 -7.51 10.67 Favored 'General case' 0 C--O 1.276 2.485 0 O-C-N 116.385 -3.947 . . . . 0.0 119.95 174.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.281 9.6 t -49.04 -50.71 35.07 Favored 'General case' 0 CA--C 1.566 1.574 0 O-C-N 117.412 -3.305 . . . . 0.0 108.151 144.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.92 51.0 0.07 OUTLIER Glycine 0 CA--C 1.537 1.417 0 CA-C-N 111.201 -2.727 . . . . 0.0 108.449 -155.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.624 ' HA ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 25.14 114.46 0.0 OUTLIER 'General case' 0 CA--C 1.482 -1.647 0 N-CA-C 121.233 3.79 . . . . 0.0 121.233 169.589 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' N ' ' HB2' ' A' ' 15' ' ' TRP 0.317 1.1 mttm 30.32 -137.86 0.01 OUTLIER 'General case' 0 C--O 1.267 2.002 0 O-C-N 116.558 -3.839 . . . . 0.0 114.915 -143.376 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 119.515 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 121.544 0.688 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.99 -166.58 0.2 Allowed 'General case' 0 C--O 1.244 0.798 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.379 -173.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -52.45 133.74 35.08 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.369 -0.832 . . . . 0.0 112.59 -148.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' C ' ' H ' ' A' ' 6' ' ' ASN . 2.8 m120 -125.35 89.01 2.97 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 112.874 -1.966 . . . . 0.0 109.77 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.04 10.67 0.86 Allowed 'General case' 0 C--O 1.245 0.84 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.303 156.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.436 ' H ' ' C ' ' A' ' 4' ' ' ASN . 31.4 t-20 -76.54 -3.91 40.0 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.12 168.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.83 131.23 11.28 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.453 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.37 6.09 5.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-N 112.528 -2.124 . . . . 0.0 111.367 -168.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.92 97.52 5.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 121.739 -0.6 . . . . 0.0 109.492 154.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' ' 15' ' ' TRP . 5.4 pt -131.81 147.52 66.29 Favored Pre-proline 0 N--CA 1.49 1.57 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.04 -152.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 10' ' ' ILE 0.254 11.1 Cg_endo -67.73 169.44 16.05 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 118.22 -1.516 . . . . 0.0 108.947 172.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.545 ' HB2' ' CZ2' ' A' ' 15' ' ' TRP 0.262 10.1 p-80 -87.65 -48.59 7.77 Favored 'General case' 0 CA--C 1.49 -1.34 0 O-C-N 120.417 -1.427 . . . . 0.0 114.395 -136.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.041 -1.037 . . . . 0.0 108.929 166.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.9 m -68.2 -37.04 80.48 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 112.5 -2.136 . . . . 0.0 110.788 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' HB3' HG13 ' A' ' 10' ' ' ILE 0.306 0.0 OUTLIER -61.76 -63.71 1.18 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-N 112.711 -2.041 . . . . 0.0 109.266 166.489 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -53.69 -16.75 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.299 -159.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.66 -18.23 9.06 Favored 'General case' 0 C--O 1.276 2.473 0 N-CA-C 119.965 3.32 . . . . 0.0 119.965 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.0 t -38.45 -46.21 1.12 Allowed 'General case' 0 C--O 1.211 -0.93 0 O-C-N 116.724 -3.735 . . . . 0.0 110.613 141.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.14 35.54 0.1 Allowed Glycine 0 CA--C 1.54 1.604 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.974 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CB ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 42.45 91.33 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 125.033 2.349 . . . . 0.0 116.761 -170.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HA ' ' HB3' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 79.79 -170.51 0.04 OUTLIER 'General case' 0 C--O 1.258 1.506 0 O-C-N 118.098 -2.876 . . . . 0.0 110.253 145.456 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.157 0 CA-C-N 113.239 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 121.448 0.642 . . . . 0.0 109.795 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.783 ' H ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -131.44 169.01 16.64 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.16 175.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.36 139.21 55.84 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.225 -157.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 6' ' ' ASN . 0.4 OUTLIER -130.43 98.77 4.79 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-N 113.715 -1.584 . . . . 0.0 110.042 -177.714 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.6 t -62.19 -5.3 2.22 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 120.105 -1.622 . . . . 0.0 109.953 147.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.491 ' C ' ' HE ' ' A' ' 7' ' ' ARG . 1.0 OUTLIER -96.15 -8.78 32.27 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 120.938 -1.102 . . . . 0.0 111.686 -174.235 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' HE ' ' C ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -116.42 118.71 33.46 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 157.368 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.09 -17.76 10.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 113.092 -1.867 . . . . 0.0 110.64 -155.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -89.08 106.06 16.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 155.236 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -124.19 142.07 38.97 Favored Pre-proline 0 N--CA 1.487 1.378 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.336 -145.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 10' ' ' ILE 0.25 29.1 Cg_endo -71.4 -178.82 3.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 N-CA-C 109.2 -1.116 . . . . 0.0 109.2 176.517 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.546 ' HA ' ' CE2' ' A' ' 15' ' ' TRP 0.367 0.0 OUTLIER -80.75 -70.51 0.52 Allowed 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 119.053 -1.059 . . . . 0.0 112.004 -139.97 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.9 mtt -56.76 -17.42 9.04 Favored 'General case' 0 C--O 1.242 0.7 0 O-C-N 120.112 -1.618 . . . . 0.0 109.952 170.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' HB2' ' HD2' ' A' ' 11' ' ' PRO . 72.2 m -76.79 -40.29 48.65 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 119.439 -2.038 . . . . 0.0 111.402 -175.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.638 ' HA ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.79 -54.6 40.07 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.059 165.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 20' ' ' LYS . 10.3 ttpt -56.76 -16.51 6.63 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.69 -160.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -122.09 -10.23 8.6 Favored 'General case' 0 C--O 1.277 2.524 0 N-CA-C 119.384 3.105 . . . . 0.0 119.384 177.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . 0.286 7.7 t -42.3 -50.96 4.96 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 116.786 -3.697 . . . . 0.0 109.271 141.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 144.16 39.88 0.06 OUTLIER Glycine 0 CA--C 1.534 1.279 0 CA-C-N 111.151 -2.75 . . . . 0.0 109.84 -169.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HD3' ' HG2' ' A' ' 21' ' ' LYS 0.354 0.0 OUTLIER 33.77 80.98 0.02 OUTLIER 'General case' 0 CA--C 1.493 -1.234 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 -169.077 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' N ' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER 84.91 -171.5 0.02 OUTLIER 'General case' 0 C--O 1.251 1.173 0 O-C-N 116.633 -3.792 . . . . 0.0 111.187 135.852 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.163 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_