data_2ysc_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 2ysc _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.599 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HZ3' ' CE1' ' A' ' 17' ' ' HIS . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.458 ' CE1' ' HZ3' ' A' ' 15' ' ' LYS . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 16.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' CD2' ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.64 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 19.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 19.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.645 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 21.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' HD13 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 21.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.414 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CD2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 15.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' HG23 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.449 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.412 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.507 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.49 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 22.9 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 24' ' ' TYR . 19.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 24' ' ' TYR . 16.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CE ' HG22 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 HG22 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' HD12 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.588 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.2 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' CG ' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.568 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 24' ' ' TYR . 17.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -57.04 -58.0 10.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -58.97 -51.22 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.67 115.53 2.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.7 t -68.65 -49.12 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.5 m -35.46 121.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.56 127.57 0.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.1 -162.19 10.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt -114.62 142.77 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -68.28 -55.46 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t 45.42 43.05 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.04 -128.29 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.556 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -78.19 117.26 19.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -57.59 154.02 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.81 -96.64 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.96 -178.2 42.02 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt -96.84 142.78 25.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.599 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -90.0 171.7 9.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -110.41 173.57 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.77 -53.14 43.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -91.95 141.97 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -67.15 -47.63 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.8 24.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.6 48.61 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.9 mt -122.52 142.01 36.31 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.574 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HZ3' ' CE1' ' A' ' 17' ' ' HIS . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' CE1' ' HZ3' ' A' ' 15' ' ' LYS . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -125.97 -47.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -75.6 93.31 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 99.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -106.69 115.71 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -107.34 110.35 22.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.9 110.33 3.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.49 -86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 16.2 mt -108.19 143.74 28.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -58.45 -56.32 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m 45.3 42.31 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 84.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -91.43 44.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -92.69 128.74 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.68 153.74 32.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.61 -64.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.3 mt -62.36 142.03 96.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' HG2' ' CD2' ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.64 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -151.87 139.63 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -84.24 175.54 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.86 144.85 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -72.5 -41.52 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -136.05 173.72 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 -104.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.92 168.63 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 19.1 mt -132.28 142.82 46.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -113.07 139.28 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -152.95 147.94 26.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.51 101.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -162.91 121.62 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -85.35 102.85 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.78 -83.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.54 -110.92 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.524 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.26 142.25 33.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -112.94 83.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -167.24 162.57 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.06 148.31 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -93.26 137.03 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -112.05 44.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.39 -116.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' N ' HH21 ' A' ' 36' ' ' ARG . . . -145.03 40.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 19.5 mt -99.13 142.35 24.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.534 HH21 ' N ' ' A' ' 8' ' ' GLY . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.645 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -144.54 115.15 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -72.73 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.97 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -87.0 159.63 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -76.31 -52.95 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.21 -80.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.56 -126.37 7.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.428 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 21.1 mt -122.35 142.6 37.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CE2' HD13 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' HG3' ' CE3' ' A' ' 13' ' ' TRP . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -102.89 125.11 49.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -62.42 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.17 120.75 3.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 p -127.56 94.96 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -39.51 127.72 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.56 -163.24 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.79 101.01 1.74 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 21.1 mt -56.51 142.31 70.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.414 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.477 ' CD2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.447 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -109.91 -43.43 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -141.21 153.66 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.52 -144.78 15.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -73.46 -43.59 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -67.51 128.32 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.08 86.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.94 172.8 18.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 15.1 mt -112.02 142.31 26.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.569 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.449 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.565 ' CE1' HG23 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.449 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.591 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -132.22 113.81 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -41.64 -51.9 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 170.26 36.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -95.11 131.34 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -172.03 110.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.24 133.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . . . -166.83 -75.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.4 mt -68.65 142.02 93.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HE2' ' NE2' ' A' ' 17' ' ' HIS . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.508 ' CZ2' ' O ' ' A' ' 8' ' ' GLY . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.46 130.68 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -70.7 160.74 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 49.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -106.6 115.65 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 41.48 44.42 2.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -60.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -146.57 18.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.4 mt -99.91 141.91 23.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.476 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.89 175.22 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m -87.07 142.08 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.47 -100.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -112.9 -45.21 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -83.63 140.43 32.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.26 -157.3 13.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.81 -56.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.6 mt -116.26 142.3 29.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.49 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.49 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -85.63 42.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.72 155.65 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -143.86 10.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -58.19 159.13 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -99.21 85.32 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 132.03 6.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.53 -93.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 22.9 mt -48.22 140.54 9.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -60.22 135.8 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -94.64 92.63 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 178.65 35.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -39.61 -60.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -54.49 130.64 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.53 161.65 31.89 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -87.1 89.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.46 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 24' ' ' TYR . 19.7 mt -37.01 139.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.579 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.95 -59.48 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -73.76 130.04 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 75.76 1.93 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.3 42.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -161.85 166.19 26.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 59.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.25 104.42 2.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.556 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 24' ' ' TYR . 16.7 mt -114.73 141.0 26.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CE ' HG22 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 HG22 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' CD2' HD12 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.561 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.588 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -63.64 -49.83 71.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -102.13 149.18 24.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.01 149.93 41.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m 49.55 42.03 22.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -74.09 143.63 45.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.39 161.13 22.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.04 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 18.2 mt -63.61 142.53 97.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.571 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.572 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' CG ' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.71 115.5 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -51.69 137.45 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.24 168.26 30.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -119.13 143.53 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -71.54 -55.12 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -171.55 26.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.8 141.21 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.568 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -116.5 142.1 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -114.37 119.26 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.53 129.72 11.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -118.69 150.74 39.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -118.81 -46.71 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.33 158.66 28.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.62 63.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 24' ' ' TYR . 17.1 mt -140.11 142.45 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.57 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 22' ' ' THR . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.8 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.73 ' HG2' HD22 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD22 ' HG2' ' A' ' 37' ' ' PRO . 16.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 37' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 9' ' ' LEU . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.943 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 36' ' ' ARG . 18.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' ILE . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE1' HD11 ' A' ' 9' ' ' LEU . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.785 ' HG2' HD21 ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.695 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 37' ' ' PRO . 19.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 6.0 m-70 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CG ' HD21 ' A' ' 9' ' ' LEU . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 22' ' ' THR . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' ILE . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' A' ' 36' ' ' ARG . 19.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 9' ' ' LEU . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HG2' HD21 ' A' ' 9' ' ' LEU . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.74 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 22' ' ' THR . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 15' ' ' LYS . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.808 ' HG2' HD21 ' A' ' 9' ' ' LEU . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.861 HD22 ' HG2' ' A' ' 37' ' ' PRO . 15.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.713 HG21 ' OH ' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.713 ' OH ' HG21 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB3' HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 25' ' ' TRP . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 9' ' ' LEU . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' A' ' 22' ' ' THR . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.683 HG21 ' HE3' ' A' ' 15' ' ' LYS . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.577 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' HD21 ' A' ' 9' ' ' LEU . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.631 ' HE2' HG21 ' A' ' 22' ' ' THR . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 15' ' ' LYS . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.505 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD22 ' HG2' ' A' ' 37' ' ' PRO . 22.9 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 26' ' ' HIS . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 22' ' ' THR . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 16' ' ' ILE . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.733 ' CG ' HD21 ' A' ' 9' ' ' LEU . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.739 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD11 ' CE2' ' A' ' 24' ' ' TYR . 19.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 22' ' ' THR . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 16' ' ' ILE . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' A' ' 9' ' ' LEU . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 24' ' ' TYR . 16.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CE ' HG21 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.462 HG21 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 36' ' ' ARG . 18.2 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.581 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 22' ' ' THR . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' ILE . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.903 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' THR . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ILE . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 25' ' ' TRP . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.903 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -57.04 -58.0 10.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -58.97 -51.22 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.67 115.53 2.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.7 t -68.65 -49.12 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.5 m -35.46 121.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.56 127.57 0.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.1 -162.19 10.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt -114.62 142.77 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 22' ' ' THR . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -68.28 -55.46 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t 45.42 43.05 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.04 -128.29 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.556 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -78.19 117.26 19.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -57.59 154.02 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.81 -96.64 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.96 -178.2 42.02 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.8 mt -96.84 142.78 25.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -90.0 171.7 9.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -110.41 173.57 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.77 -53.14 43.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -91.95 141.97 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -67.15 -47.63 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.8 24.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.6 48.61 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.9 mt -122.52 142.01 36.31 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.73 ' HG2' HD22 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -125.97 -47.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -75.6 93.31 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 99.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -106.69 115.71 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -107.34 110.35 22.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.9 110.33 3.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.49 -86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD22 ' HG2' ' A' ' 37' ' ' PRO . 16.2 mt -108.19 143.74 28.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 37' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 9' ' ' LEU . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.943 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -58.45 -56.32 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m 45.3 42.31 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 84.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -91.43 44.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -92.69 128.74 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.68 153.74 32.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.61 -64.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 36' ' ' ARG . 18.3 mt -62.36 142.03 96.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' ILE . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE1' HD11 ' A' ' 9' ' ' LEU . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.785 ' HG2' HD21 ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.695 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -151.87 139.63 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -84.24 175.54 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.86 144.85 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -72.5 -41.52 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -136.05 173.72 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 -104.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 9' ' ' LEU . . . 112.92 168.63 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 37' ' ' PRO . 19.1 mt -132.28 142.82 46.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HG2' ' CE1' ' A' ' 17' ' ' HIS . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 15' ' ' LYS . 6.0 m-70 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CG ' HD21 ' A' ' 9' ' ' LEU . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -113.07 139.28 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -152.95 147.94 26.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.51 101.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -162.91 121.62 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -85.35 102.85 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.78 -83.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.54 -110.92 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.524 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt -120.26 142.25 33.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 22' ' ' THR . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' ILE . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -112.94 83.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -167.24 162.57 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.06 148.31 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -93.26 137.03 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -112.05 44.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.39 -116.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . . . -145.03 40.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' A' ' 36' ' ' ARG . 19.5 mt -99.13 142.35 24.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 9' ' ' LEU . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -144.54 115.15 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -72.73 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.97 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -87.0 159.63 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -76.31 -52.95 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.21 -80.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.56 -126.37 7.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.428 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt -122.35 142.6 37.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HG2' HD21 ' A' ' 9' ' ' LEU . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.74 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -102.89 125.11 49.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -62.42 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.17 120.75 3.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 p -127.56 94.96 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -39.51 127.72 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.56 -163.24 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.79 101.01 1.74 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt -56.51 142.31 70.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 22' ' ' THR . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 15' ' ' LYS . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.808 ' HG2' HD21 ' A' ' 9' ' ' LEU . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -109.91 -43.43 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -141.21 153.66 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.52 -144.78 15.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -73.46 -43.59 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -67.51 128.32 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.08 86.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.94 172.8 18.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.861 HD22 ' HG2' ' A' ' 37' ' ' PRO . 15.1 mt -112.02 142.31 26.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.713 HG21 ' OH ' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.713 ' OH ' HG21 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB3' HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 25' ' ' TRP . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 9' ' ' LEU . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -132.22 113.81 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -41.64 -51.9 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 170.26 36.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -95.11 131.34 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -172.03 110.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.24 133.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . . . -166.83 -75.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.4 mt -68.65 142.02 93.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' A' ' 22' ' ' THR . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.683 HG21 ' HE3' ' A' ' 15' ' ' LYS . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.577 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' HD21 ' A' ' 9' ' ' LEU . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.508 ' CZ2' ' O ' ' A' ' 8' ' ' GLY . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.46 130.68 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -70.7 160.74 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 49.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -106.6 115.65 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 41.48 44.42 2.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -60.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -146.57 18.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.4 mt -99.91 141.91 23.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.89 175.22 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m -87.07 142.08 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.47 -100.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -112.9 -45.21 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -83.63 140.43 32.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.26 -157.3 13.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.81 -56.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.6 mt -116.26 142.3 29.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.631 ' HE2' HG21 ' A' ' 22' ' ' THR . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 15' ' ' LYS . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.505 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -85.63 42.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.72 155.65 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -143.86 10.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -58.19 159.13 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -99.21 85.32 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 132.03 6.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.53 -93.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD22 ' HG2' ' A' ' 37' ' ' PRO . 22.9 mt -48.22 140.54 9.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 26' ' ' HIS . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 22' ' ' THR . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 16' ' ' ILE . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.733 ' CG ' HD21 ' A' ' 9' ' ' LEU . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.739 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -60.22 135.8 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -94.64 92.63 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 178.65 35.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -39.61 -60.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -54.49 130.64 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.53 161.65 31.89 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -87.1 89.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.46 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD11 ' CE2' ' A' ' 24' ' ' TYR . 19.7 mt -37.01 139.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 22' ' ' THR . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 16' ' ' ILE . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' A' ' 9' ' ' LEU . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.95 -59.48 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -73.76 130.04 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 75.76 1.93 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.3 42.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -161.85 166.19 26.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 59.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.25 104.42 2.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.556 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 24' ' ' TYR . 16.7 mt -114.73 141.0 26.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CE ' HG21 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.462 HG21 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -63.64 -49.83 71.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -102.13 149.18 24.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.01 149.93 41.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m 49.55 42.03 22.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -74.09 143.63 45.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.39 161.13 22.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.04 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 36' ' ' ARG . 18.2 mt -63.61 142.53 97.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.71 115.5 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -51.69 137.45 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.24 168.26 30.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -119.13 143.53 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -71.54 -55.12 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -171.55 26.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.7 mt -117.8 141.21 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 22' ' ' THR . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' ILE . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -116.5 142.1 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -114.37 119.26 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.53 129.72 11.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -118.69 150.74 39.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -118.81 -46.71 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.33 158.66 28.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.651 ' O ' HD23 ' A' ' 9' ' ' LEU . . . 170.62 63.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.903 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.1 mt -140.11 142.45 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' THR . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ILE . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 25' ' ' TRP . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.903 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 22' ' ' THR . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.8 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.73 ' HG2' HD22 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD22 ' HG2' ' A' ' 37' ' ' PRO . 16.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 37' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 9' ' ' LEU . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.943 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 36' ' ' ARG . 18.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' ILE . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE1' HD11 ' A' ' 9' ' ' LEU . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.785 ' HG2' HD21 ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.695 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 37' ' ' PRO . 19.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CG ' HD21 ' A' ' 9' ' ' LEU . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.694 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 22' ' ' THR . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' ILE . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' A' ' 36' ' ' ARG . 19.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 9' ' ' LEU . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HG2' HD21 ' A' ' 9' ' ' LEU . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.74 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 22' ' ' THR . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 15' ' ' LYS . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.808 ' HG2' HD21 ' A' ' 9' ' ' LEU . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.861 HD22 ' HG2' ' A' ' 37' ' ' PRO . 15.1 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.713 HG21 ' OH ' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.713 ' OH ' HG21 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB3' HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 25' ' ' TRP . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 9' ' ' LEU . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' A' ' 22' ' ' THR . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.683 HG21 ' HE3' ' A' ' 15' ' ' LYS . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.577 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' HD21 ' A' ' 9' ' ' LEU . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.6 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.631 ' HE2' HG21 ' A' ' 22' ' ' THR . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 15' ' ' LYS . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.505 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD22 ' HG2' ' A' ' 37' ' ' PRO . 22.9 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 26' ' ' HIS . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 22' ' ' THR . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 16' ' ' ILE . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.733 ' CG ' HD21 ' A' ' 9' ' ' LEU . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.739 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD11 ' CE2' ' A' ' 24' ' ' TYR . 19.7 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 22' ' ' THR . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 16' ' ' ILE . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' A' ' 9' ' ' LEU . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 24' ' ' TYR . 16.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CE ' HG21 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.462 HG21 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 36' ' ' ARG . 18.2 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.581 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 22' ' ' THR . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' ILE . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.903 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' THR . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ILE . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 25' ' ' TRP . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.903 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -57.04 -58.0 10.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -58.97 -51.22 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.67 115.53 2.84 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 42.7 t -68.65 -49.12 61.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 4.5 m -35.46 121.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.56 127.57 0.9 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.43 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.1 -162.19 10.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.4 mt -114.62 142.77 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.67 0.748 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.2 Cg_endo -69.79 166.26 28.25 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.281 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.13 2.48 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.612 2.208 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.43 -18.91 2.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.66 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 86.4 m95 -74.73 164.24 26.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 27.6 mtp85 -153.68 122.18 6.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -87.87 113.66 23.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 22' ' ' THR . 2.5 mm -102.27 154.1 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -129.23 108.01 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -119.99 159.05 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.84 -32.4 31.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -43.92 79.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.25 -144.46 8.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' ILE . 18.2 m -135.12 129.14 33.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 111.028 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -138.43 154.01 48.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 36' ' ' ARG . 25.6 m-85 -102.32 137.44 40.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -125.19 126.88 45.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.8 t-160 -95.65 125.99 40.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.84 -54.6 20.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.565 0.698 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.8 Cg_endo -69.8 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.514 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 7.9 t -77.87 0.47 23.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.98 34.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' SER . 9.4 t -107.01 149.67 27.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.827 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.8 p -133.11 111.93 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -116.22 172.34 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -89.25 -32.61 17.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -101.74 -177.0 3.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 27.1 mtp180 -77.66 121.4 84.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.66 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 177.65 5.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.697 2.264 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 p -133.17 166.0 23.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.948 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -68.28 -55.46 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t 45.42 43.05 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.04 -128.29 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.556 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.0 m -78.19 117.26 19.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -57.59 154.02 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.809 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.81 -96.64 0.11 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.96 -178.2 42.02 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.8 mt -96.84 142.78 25.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.933 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.0 Cg_endo -69.91 168.49 21.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.661 2.24 . . . . 0.0 112.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.81 106.71 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.636 2.224 . . . . 0.0 112.326 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.52 -20.58 1.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.599 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 95.3 m95 -76.01 163.4 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.744 0.307 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 32.8 mtp180 -152.87 125.64 8.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -87.83 113.03 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.16 147.65 8.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -124.06 107.93 11.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -118.8 175.06 5.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.65 68.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.43 -43.12 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.04 -142.16 7.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -135.07 124.96 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.115 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -127.48 174.35 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 88.1 m-85 -118.57 125.17 49.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -116.04 125.97 53.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.7 t-160 -95.27 126.03 40.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.91 -54.47 20.92 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.645 0.736 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.3 Cg_endo -69.84 -50.89 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -77.82 0.25 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.6 35.46 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 29' ' ' SER . 42.3 t -110.51 151.35 27.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.2 p -134.79 110.04 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.56 158.61 22.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -75.36 -34.9 61.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.57 -178.29 4.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.7 mtm105 -82.15 121.7 78.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.74 179.07 3.95 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.689 2.26 . . . . 0.0 112.391 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -142.18 170.98 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.437 ' N ' ' OG1' ' A' ' 38' ' ' THR . 21.3 m95 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -90.0 171.7 9.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -110.41 173.57 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.77 -53.14 43.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -91.95 141.97 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 t -67.15 -47.63 70.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.5 -153.8 24.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.6 48.61 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.449 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.73 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.9 mt -122.52 142.01 36.31 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.608 0.718 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.76 169.33 19.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.635 2.223 . . . . 0.0 112.381 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.19 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.46 -18.71 1.5 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.2 m95 -77.91 163.33 26.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 70.1 mtt180 -152.16 126.91 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -87.88 112.85 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.1 154.71 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -125.19 107.85 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -120.02 168.31 11.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.04 -30.83 37.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.54 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.23 -134.31 3.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -134.24 116.02 14.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -117.29 173.14 6.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.515 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 92.6 m-85 -118.86 120.53 37.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.588 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.2 t90 -109.57 126.9 54.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.93 126.82 41.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.61 16.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.74 -50.82 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.395 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.39 -1.17 28.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.66 35.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.429 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.4 t -112.69 150.06 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.9 p -131.6 112.06 12.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -116.46 161.37 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -78.92 -38.17 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -86.76 -177.89 6.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.515 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 2.6 mtt-85 -82.26 119.44 74.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.71 . . . . 0.0 110.861 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.73 ' HG2' HD22 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.77 153.82 68.41 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' TRP . 40.3 p -126.65 148.77 49.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' THR . 80.0 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -125.97 -47.22 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -75.6 93.31 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.69 99.56 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -106.69 115.71 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -107.34 110.35 22.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.9 110.33 3.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.49 -86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.471 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD22 ' HG2' ' A' ' 37' ' ' PRO . 16.2 mt -108.19 143.74 28.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.548 0.689 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.547 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.78 168.79 20.57 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.404 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.84 111.72 2.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.71 2.273 . . . . 0.0 112.254 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.85 -18.0 2.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.458 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 37' ' ' PRO . 88.2 m95 -75.94 166.25 23.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.1 mtp85 -158.02 124.49 4.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -87.96 114.41 24.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.66 152.88 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -124.75 107.93 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -118.42 164.45 15.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.31 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.67 -39.12 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.09 -145.84 10.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -130.58 117.96 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 111.156 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -125.51 165.41 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -110.52 134.49 52.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -120.9 123.71 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.55 126.52 37.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.808 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.87 -54.24 17.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.627 0.727 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.8 -51.21 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.4 t -76.64 -3.95 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 38.04 26.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.2 m -105.0 136.2 44.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.991 0.424 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.7 p -118.0 116.85 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -113.73 172.67 6.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -92.37 -31.51 15.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -98.39 -175.98 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' HD21 ' A' ' 9' ' ' LEU . 29.8 ttt180 -78.24 121.6 84.09 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.943 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.5 Cg_endo -69.8 -178.69 2.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -152.55 175.42 12.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.9 m95 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.901 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -58.45 -56.32 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 m 45.3 42.31 7.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.29 84.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.553 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -91.43 44.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.391 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -92.69 128.74 38.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.68 153.74 32.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.61 -64.98 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.785 HD21 ' HG2' ' A' ' 36' ' ' ARG . 18.3 mt -62.36 142.03 96.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.929 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.63 169.6 18.38 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.395 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 107.83 1.93 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.262 . . . . 0.0 112.292 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.31 -22.51 1.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.64 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 96.3 m95 -75.02 161.48 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.958 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.8 mtp85 -152.18 126.63 9.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -87.91 113.3 23.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -101.21 153.88 4.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -126.0 107.84 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.98 169.83 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -27.19 66.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.89 -41.85 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.13 -147.17 12.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' ILE . 30.6 m -132.31 125.89 32.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.827 0.346 . . . . 0.0 111.052 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -126.55 176.61 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE1' HD11 ' A' ' 9' ' ' LEU . 96.3 m-85 -119.26 120.05 35.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.69 124.51 52.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.16 126.61 38.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.73 -54.41 17.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.74 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.749 2.299 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -76.99 -1.81 30.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.07 35.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 60.6 m -112.97 141.46 46.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.1 p -122.41 111.19 16.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -115.84 160.93 19.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -80.51 -33.21 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -88.21 -175.03 4.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.785 ' HG2' HD21 ' A' ' 9' ' ' LEU . 38.0 ttp180 -90.43 119.57 69.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.695 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 160.03 51.17 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.308 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.4 p -135.31 150.3 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -151.87 139.63 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -84.24 175.54 9.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.86 144.85 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -72.5 -41.52 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -136.05 173.72 11.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.19 -104.42 0.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.534 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.499 ' O ' HD23 ' A' ' 9' ' ' LEU . . . 112.92 168.63 17.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD22 ' HG2' ' A' ' 37' ' ' PRO . 19.1 mt -132.28 142.82 46.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.85 167.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 106.93 1.75 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.2 -19.67 1.55 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 26' ' ' HIS . 92.9 m95 -75.59 165.96 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.731 0.3 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.57 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 23.6 mtp85 -156.1 124.27 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -87.75 113.4 23.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -103.48 148.45 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -123.28 107.93 12.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.01 168.62 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.48 -36.92 46.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.05 88.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.12 -140.0 6.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.537 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.1 m -134.93 126.79 29.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 111.134 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -128.08 179.49 5.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.22 120.82 33.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.57 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.24 125.5 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -94.02 125.91 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.4 -54.1 20.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.76 -51.07 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.5 -0.62 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 37.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.55 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.6 m -116.28 151.57 35.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.019 0.438 . . . . 0.0 110.815 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.6 p -131.09 114.62 15.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.137 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -111.94 170.02 8.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -91.97 -26.41 18.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -100.3 -174.87 2.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CG ' HD21 ' A' ' 9' ' ' LEU . 22.8 ttp180 -84.98 115.98 63.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.616 0.722 . . . . 0.0 110.858 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.694 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 172.74 12.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.252 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 p -147.18 163.61 35.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -113.07 139.28 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -152.95 147.94 26.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.51 101.54 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 t -162.91 121.62 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -85.35 102.85 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.78 -83.04 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.54 -110.92 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.524 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.1 mt -120.26 142.25 33.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 110.939 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.67 167.69 23.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.785 2.323 . . . . 0.0 112.357 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.94 -20.47 2.87 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.598 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 88.5 m95 -74.02 163.3 28.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.72 0.295 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.4 mtp85 -154.49 123.8 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttt -87.94 112.98 23.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 22' ' ' THR . 3.0 mm -101.52 154.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -131.86 107.9 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -120.08 169.08 10.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.5 -37.27 62.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.27 -46.65 87.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.83 -139.81 5.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 16' ' ' ILE . 26.2 m -134.99 128.97 33.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.128 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -136.96 171.05 15.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 36' ' ' ARG . 45.0 m-85 -116.21 145.08 43.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -132.41 126.82 34.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.7 t-160 -96.27 123.99 40.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -65.58 -53.98 33.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.1 Cg_endo -69.81 -51.15 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.735 2.29 . . . . 0.0 112.279 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.0 t -78.25 0.99 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.91 33.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.4 t -107.37 146.6 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.7 p -129.71 115.81 17.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -117.81 173.77 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 72.2 m95 -91.77 -29.75 16.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.59 -177.39 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 43.4 mtt180 -77.22 118.2 70.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.76 -175.14 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.284 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 78.9 p -139.88 175.55 9.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -112.94 83.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -167.24 162.57 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.828 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.06 148.31 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -93.26 137.03 32.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.858 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.0 m -112.05 44.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.39 -116.52 1.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.554 ' N ' HH21 ' A' ' 36' ' ' ARG . . . -145.03 40.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' HG3' ' A' ' 36' ' ' ARG . 19.5 mt -99.13 142.35 24.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.82 167.94 23.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 110.47 2.55 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.85 -20.0 2.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 89.8 m95 -74.13 165.79 24.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 22.3 mtp85 -155.2 124.4 6.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -87.87 113.02 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mm -102.64 149.71 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.46 107.92 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.27 -178.39 3.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.24 76.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.26 83.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.52 -142.46 7.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -132.15 129.83 40.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -134.04 173.52 11.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -119.36 126.49 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.571 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -116.16 129.38 56.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -97.6 126.91 43.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.593 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -68.4 -54.15 15.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.3 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.513 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.6 t -76.04 -5.21 45.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 37.68 27.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' SER . 69.5 m -110.43 128.0 55.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.012 0.434 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.0 p -108.98 116.58 32.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -111.8 168.85 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -89.8 -27.6 19.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -98.8 -175.13 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.885 ' HG3' HD21 ' A' ' 9' ' ' LEU . 20.0 ttt-85 -84.04 118.81 72.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.569 0.699 . . . . 0.0 110.93 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.81 171.92 13.63 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.9 p -148.28 160.6 42.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 t -144.54 115.15 7.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -72.73 -60.38 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.97 2.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -87.0 159.63 18.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 t -76.31 -52.95 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.808 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.21 -80.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.56 -126.37 7.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.428 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt -122.35 142.6 37.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.548 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.3 Cg_endo -69.72 168.22 22.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 107.06 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.71 -18.98 1.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.545 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 10' ' ' PRO . 92.2 m95 -76.29 162.42 27.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 39.1 mtt-85 -150.91 124.44 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -87.86 113.07 23.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -102.81 151.49 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -131.3 107.94 9.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.66 171.6 8.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.19 -26.73 65.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.35 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.82 10.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.537 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -133.1 130.07 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -135.44 167.77 20.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CE2' HD11 ' A' ' 9' ' ' LEU . 68.1 m-85 -114.13 119.88 38.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -108.77 128.25 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.5 t-160 -96.75 126.09 41.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.595 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.75 -53.98 19.2 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.83 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.376 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.5 t -76.75 -4.05 41.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 37.92 42.36 1.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -115.68 157.78 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.962 0.41 . . . . 0.0 110.846 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 p -138.12 110.01 7.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -118.45 164.53 15.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -87.64 -30.04 20.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -89.85 -175.01 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HG2' HD21 ' A' ' 9' ' ' LEU . 12.9 ttt85 -91.09 118.71 68.72 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.74 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.1 Cg_endo -69.79 174.36 9.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.3 p -152.79 151.57 30.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 t -102.89 125.11 49.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -62.42 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.17 120.75 3.7 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 p -127.56 94.96 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.803 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -39.51 127.72 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.56 -163.24 39.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.79 101.01 1.74 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD21 ' HG2' ' A' ' 36' ' ' ARG . 21.1 mt -56.51 142.31 70.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.2 Cg_endo -69.77 168.01 22.8 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.36 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 109.32 2.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 -18.2 2.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 10' ' ' PRO . 89.9 m95 -76.3 162.57 27.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.94 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 41.9 mtt-85 -150.76 123.94 8.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 22' ' ' THR . 38.8 tttt -87.94 113.09 23.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.33 152.73 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 46.4 m170 -126.94 107.92 10.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -119.99 172.68 7.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.73 68.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.26 -44.32 72.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -141.02 6.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.641 HG21 ' HE3' ' A' ' 15' ' ' LYS . 91.2 m -133.64 118.38 18.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.903 0.383 . . . . 0.0 111.117 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -121.16 162.54 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 9' ' ' LEU . 63.8 m-85 -110.16 122.82 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.422 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -112.1 128.26 56.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.96 126.63 41.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.801 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.51 -54.56 17.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.72 0.771 . . . . 0.0 111.192 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.5 Cg_endo -69.79 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.507 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.66 27.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.47 35.98 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 29' ' ' SER . 2.7 m -114.1 147.73 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.877 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.1 p -128.1 114.82 17.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -112.46 170.81 7.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 62.3 m95 -92.69 -23.38 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -104.78 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.808 ' HG2' HD21 ' A' ' 9' ' ' LEU . 18.8 ttt180 -82.75 117.89 70.01 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.609 0.719 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.3 Cg_endo -69.69 170.97 15.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.0 p -144.05 162.11 37.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 m -109.91 -43.43 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -141.21 153.66 45.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.52 -144.78 15.41 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -73.46 -43.59 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -67.51 128.32 36.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.08 86.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -126.94 172.8 18.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.861 HD22 ' HG2' ' A' ' 37' ' ' PRO . 15.1 mt -112.02 142.31 26.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 54.5 Cg_endo -69.74 168.66 20.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 116.06 4.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.21 -16.33 4.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 82.3 m95 -75.64 170.04 16.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 13.5 mtp85 -159.56 126.36 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -87.71 113.24 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.713 HG21 ' OH ' ' A' ' 23' ' ' TYR . 5.0 mp -103.61 146.19 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -132.94 108.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.78 -179.86 3.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.83 -42.56 68.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.03 84.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.55 -137.87 4.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.7 m -129.2 120.25 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.713 ' OH ' HG21 ' A' ' 16' ' ' ILE . 42.3 p90 -128.86 175.08 8.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -122.59 153.47 39.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.662 ' HB3' HD11 ' A' ' 16' ' ' ILE . 1.0 OUTLIER -139.02 121.69 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -89.42 124.84 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.6 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.77 -53.91 25.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 111.095 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.76 -51.03 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.266 . . . . 0.0 112.292 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.65 -0.82 28.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.46 36.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' SER . 45.4 m -115.94 137.58 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.841 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 25' ' ' TRP . 41.6 p -118.61 115.95 25.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -111.7 173.25 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -94.08 -25.25 17.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -105.26 179.49 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HG2' HD21 ' A' ' 9' ' ' LEU . 14.4 ttm180 -74.04 119.98 79.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.572 0.701 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 9' ' ' LEU . 52.8 Cg_endo -69.81 176.23 7.08 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.275 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.4 p -139.44 171.22 14.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -132.22 113.81 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.795 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -41.64 -51.9 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 170.26 36.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -95.11 131.34 41.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -172.03 110.55 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.24 133.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.434 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' CZ2' ' A' ' 39' ' ' TRP . . . -166.83 -75.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.4 mt -68.65 142.02 93.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.1 Cg_endo -69.79 169.75 18.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.0 -21.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.2 m95 -76.34 161.35 28.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.577 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 16.0 mtp85 -151.49 127.62 10.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HE3' HG21 ' A' ' 22' ' ' THR . 48.1 tttt -88.0 113.04 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mm -103.67 147.62 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' NE2' ' HE2' ' A' ' 15' ' ' LYS . 53.4 m170 -119.72 108.05 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.63 177.77 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.55 76.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.91 90.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.063 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.86 -134.38 3.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.683 HG21 ' HE3' ' A' ' 15' ' ' LYS . 93.2 m -135.03 118.01 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -117.43 175.31 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -120.88 120.03 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.577 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -110.0 128.03 55.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.24 126.06 42.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.45 -54.25 19.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.55 -0.59 26.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.63 36.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 29' ' ' SER . 22.7 t -113.33 150.54 32.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.93 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.3 p -133.08 112.05 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -116.57 163.33 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -82.4 -37.43 25.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -85.84 -175.79 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' HD21 ' A' ' 9' ' ' LEU . 31.3 ttp180 -81.66 118.6 72.82 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.618 0.723 . . . . 0.0 110.813 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.76 158.55 56.59 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.776 2.317 . . . . 0.0 112.291 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.8 p -124.0 -178.61 4.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.508 ' CZ2' ' O ' ' A' ' 8' ' ' GLY . 8.2 m95 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -133.46 130.68 38.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.4 p -70.7 160.74 32.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.35 49.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -106.6 115.65 30.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t 41.48 44.42 2.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.937 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.01 -60.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.54 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.84 -146.57 18.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.555 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.4 mt -99.91 141.91 23.64 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.7 Cg_endo -69.77 167.78 23.45 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.697 2.264 . . . . 0.0 112.278 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.81 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.51 -19.99 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.596 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 94.1 m95 -76.5 163.0 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 29.6 mtp85 -152.65 125.62 8.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -87.81 113.03 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -102.48 153.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -129.15 107.82 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.05 175.86 5.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.88 -35.71 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -43.96 84.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.7 -135.67 3.96 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 m -133.79 133.91 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.15 174.37 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -120.04 119.89 34.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -110.62 128.17 55.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -97.52 124.75 41.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.596 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.46 -54.01 26.73 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.81 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.628 2.219 . . . . 0.0 112.338 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.61 -0.13 25.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.34 40.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 t -117.91 151.12 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.0 p -133.38 113.22 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.187 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -122.0 165.86 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -89.74 -28.27 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -96.98 141.84 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -44.61 115.62 2.4 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 53.8 Cg_endo -69.75 155.13 66.78 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 39' ' ' TRP . 28.0 p -123.63 148.36 46.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CD2' ' HB3' ' A' ' 10' ' ' PRO . 56.1 m95 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -132.89 175.22 9.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 m -87.07 142.08 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.47 -100.69 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.433 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -112.9 -45.21 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 0.0 110.907 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -83.63 140.43 32.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.26 -157.3 13.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.81 -56.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD22 ' HG2' ' A' ' 37' ' ' PRO . 18.6 mt -116.26 142.3 29.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.627 0.727 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.72 168.35 21.76 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.392 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 107.32 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.01 -21.84 1.6 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 93.2 m95 -74.46 163.29 27.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.737 0.303 . . . . 0.0 110.953 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 95.7 mtt180 -153.79 124.67 7.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.857 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.631 ' HE2' HG21 ' A' ' 22' ' ' THR . 43.0 tttm -87.9 113.11 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.7 152.34 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -128.61 107.89 10.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.07 169.6 10.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.93 63.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -45.36 88.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.67 -141.88 7.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.631 HG21 ' HE2' ' A' ' 15' ' ' LYS . 59.3 m -133.48 130.44 38.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.82 0.343 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB3' ' CZ3' ' A' ' 34' ' ' TRP . 41.0 p90 -133.66 174.58 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.51 127.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.3 t90 -117.13 123.02 45.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 4.7 t-160 -91.97 125.16 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.594 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -66.47 -54.25 25.25 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.696 0.76 . . . . 0.0 111.13 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.78 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.506 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.79 0.08 25.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.52 37.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' SER . 5.1 t -116.71 147.24 42.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -123.91 112.83 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -110.9 169.18 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.505 ' CZ3' ' HB3' ' A' ' 23' ' ' TYR . 57.9 m95 -97.16 -17.7 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 36' ' ' ARG . 2.3 tt0 -116.56 148.78 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 35' ' ' GLN . 43.9 mtm180 -46.33 111.43 1.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.713 . . . . 0.0 110.822 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 -178.0 2.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.6 p -139.91 179.0 6.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.1 m95 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 p -85.63 42.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m -88.72 155.65 19.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -143.86 10.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -58.19 159.13 6.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -99.21 85.32 3.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 132.03 6.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.53 -93.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD22 ' HG2' ' A' ' 37' ' ' PRO . 22.9 mt -48.22 140.54 9.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.599 0.714 . . . . 0.0 110.952 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 169.49 18.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.86 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.54 -19.63 1.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 26' ' ' HIS . 94.4 m95 -76.94 168.41 20.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 31.5 mtp180 -158.75 126.92 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE2' HG21 ' A' ' 22' ' ' THR . 33.1 tttm -87.91 112.94 23.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 22' ' ' THR . 2.8 mm -102.02 154.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.24 107.92 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -120.15 178.1 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.88 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.13 84.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.89 -141.73 7.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.535 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 16' ' ' ILE . 34.4 m -133.78 131.78 39.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.199 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -137.15 166.05 24.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.99 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.6 m-85 -110.46 120.13 41.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -108.2 126.79 53.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.4 t-160 -96.15 127.6 42.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -68.26 -53.91 16.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.722 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.4 Cg_endo -69.81 -51.39 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.284 . . . . 0.0 112.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' SER . 13.4 t -77.03 -2.24 33.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.03 33.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' SER . 4.2 t -110.97 155.01 23.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.7 p -134.02 109.98 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.184 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -113.19 161.89 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -81.2 -35.99 30.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -86.78 -174.93 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.733 ' CG ' HD21 ' A' ' 9' ' ' LEU . 11.6 ttp-105 -89.06 119.95 69.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.578 0.704 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.739 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.76 157.28 60.94 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 p -132.94 146.68 52.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.982 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -60.22 135.8 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -94.64 92.63 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.62 178.65 35.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -39.61 -60.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -54.49 130.64 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.53 161.65 31.89 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' LEU . . . -87.1 89.08 1.6 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.46 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD11 ' CE2' ' A' ' 24' ' ' TYR . 19.7 mt -37.01 139.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.5 Cg_endo -69.79 167.74 23.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.293 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 105.64 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 -16.67 1.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.651 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 92.0 m95 -78.7 166.1 22.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 19.8 mtp180 -152.98 123.75 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 7.1 ttmt -87.88 113.08 23.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 22' ' ' THR . 3.9 mm -101.95 153.77 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -129.16 107.78 9.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.11 179.27 4.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.94 74.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.12 -42.17 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 163.75 -148.02 14.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 16' ' ' ILE . 90.0 m -129.47 124.37 33.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.349 . . . . 0.0 111.108 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -125.43 173.8 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' A' ' 9' ' ' LEU . 90.5 m-85 -118.09 121.03 39.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.3 t90 -111.78 126.23 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -95.63 126.42 40.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.74 -54.24 18.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.666 0.746 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.2 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.03 -1.85 30.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.71 33.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.445 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' SER . 47.4 m -115.07 138.38 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.952 0.406 . . . . 0.0 110.807 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.5 p -118.33 118.72 32.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -116.69 169.99 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -90.03 -26.51 20.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -102.34 -177.87 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.528 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 1.5 mpt_? -80.63 118.2 71.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.73 157.22 61.21 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.6 p -124.9 157.75 35.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.171 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.453 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -79.95 -59.48 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -73.76 130.04 39.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 75.76 1.93 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -104.3 42.36 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.791 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -161.85 166.19 26.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.37 59.54 0.59 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.25 104.42 2.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.556 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 24' ' ' TYR . 16.7 mt -114.73 141.0 26.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.64 0.734 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.551 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 53.4 Cg_endo -69.79 166.07 28.87 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 103.8 1.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.107 0 C-N-CA 122.656 2.237 . . . . 0.0 112.415 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.64 -17.65 0.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.672 ' CZ2' ' CB ' ' A' ' 37' ' ' PRO . 90.8 m95 -77.35 164.05 25.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HD2' ' CZ3' ' A' ' 25' ' ' TRP . 37.3 mtt-85 -149.26 125.47 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.798 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CE ' HG21 ' A' ' 22' ' ' THR . 36.2 tttt -87.87 113.15 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.3 mm -104.45 154.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -127.36 108.03 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -120.15 171.47 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.31 -29.97 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.73 74.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 164.06 -138.92 5.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.462 HG21 ' CE ' ' A' ' 15' ' ' LYS . 27.4 m -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -128.42 172.34 11.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 9' ' ' LEU . 89.4 m-85 -118.27 134.18 55.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' HD2' ' A' ' 14' ' ' ARG . 1.5 t90 -120.78 123.35 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.6 t-160 -93.26 125.05 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -66.78 -53.9 24.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.0 Cg_endo -69.72 -51.22 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.509 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.2 t -77.41 -1.69 31.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 35.22 31.62 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.7 m -109.83 138.19 46.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 82.0 p -120.8 112.76 19.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -118.16 163.9 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -81.53 -40.2 23.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -86.77 178.27 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 24' ' ' TYR . 10.0 mpt_? -78.45 116.87 62.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.672 ' CB ' ' CZ2' ' A' ' 13' ' ' TRP . 53.3 Cg_endo -69.81 155.61 65.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.369 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 39' ' ' TRP . 74.5 p -120.57 147.06 45.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.474 ' CE3' ' HB3' ' A' ' 10' ' ' PRO . 49.4 m95 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -63.64 -49.83 71.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -102.13 149.18 24.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.01 149.93 41.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m 49.55 42.03 22.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 t -74.09 143.63 45.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.39 161.13 22.17 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.04 -87.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.433 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.708 HD21 ' HG3' ' A' ' 36' ' ' ARG . 18.2 mt -63.61 142.53 97.98 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.9 Cg_endo -69.68 168.11 22.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 0.0 112.39 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 107.0 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.308 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.37 -21.26 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 37' ' ' PRO . 95.0 m95 -74.9 166.04 24.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 36.5 mtp180 -156.58 125.4 5.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -87.95 112.98 23.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mm -101.46 151.28 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -126.32 107.82 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -120.04 164.61 15.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.88 -27.53 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.52 -44.98 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.5 -142.48 7.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.0 m -131.94 125.38 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -130.18 165.51 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -111.94 129.37 56.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.1 t90 -118.77 126.86 52.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -95.76 125.52 40.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.599 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.4 t -67.15 -54.03 21.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.634 0.731 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.0 Cg_endo -69.85 -51.05 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.297 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.505 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.3 t -77.26 -1.64 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.8 33.36 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' SER . 8.4 m -115.01 137.91 51.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 62.6 p -117.57 120.92 39.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -116.91 170.62 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -91.55 -25.36 19.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -101.47 -175.06 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 9' ' ' LEU . 53.5 ttp180 -86.61 115.78 63.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.4 Cg_endo -69.79 175.84 7.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -148.14 170.49 17.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 10' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -150.71 115.5 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.9 p -51.69 137.45 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.24 168.26 30.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -119.13 143.53 47.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -71.54 -55.12 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -171.55 26.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.448 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 37' ' ' PRO . 14.7 mt -117.8 141.21 28.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.577 0.703 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 13' ' ' TRP . 53.6 Cg_endo -69.77 168.52 21.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.62 2.213 . . . . 0.0 112.341 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.643 2.229 . . . . 0.0 112.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.74 -21.43 1.82 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.601 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.5 m95 -75.62 163.32 27.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.8 0.333 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' ' CZ3' ' A' ' 25' ' ' TRP . 18.0 mtp85 -151.51 122.12 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 2.2 ttmp? -87.83 113.03 23.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.657 ' O ' HG23 ' A' ' 22' ' ' THR . 1.6 mm -102.99 154.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -132.88 107.95 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -118.99 -175.95 3.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.44 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.7 -41.97 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.78 -155.85 27.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' ILE . 98.6 m -127.48 127.24 43.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -128.18 172.69 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 15' ' ' LYS . 97.9 m-85 -118.67 121.96 41.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.983 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' CZ3' ' HD3' ' A' ' 14' ' ' ARG . 1.2 t90 -111.87 129.24 56.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.565 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . 4.5 t-160 -99.11 124.2 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.5 t -66.41 -53.58 29.68 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 53.7 Cg_endo -69.77 -51.1 0.4 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.746 2.297 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.511 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.97 -0.19 26.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 33.83 42.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.46 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 t -118.47 149.32 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.935 0.397 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 p -133.32 110.15 9.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -113.68 171.76 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -89.95 -31.86 17.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -97.66 -178.76 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 24' ' ' TYR . 46.2 mtt180 -76.32 119.76 78.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.715 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.601 ' HB2' ' CZ2' ' A' ' 13' ' ' TRP . 54.4 Cg_endo -69.85 168.3 22.08 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -130.46 161.67 30.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 26.0 m95 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -116.5 142.1 47.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -114.37 119.26 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.53 129.72 11.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -118.69 150.74 39.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 m -118.81 -46.71 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.33 158.66 28.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.651 ' O ' HD23 ' A' ' 9' ' ' LEU . . . 170.62 63.82 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.903 HD22 ' HG2' ' A' ' 37' ' ' PRO . 17.1 mt -140.11 142.45 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.549 ' HD2' ' CD1' ' A' ' 13' ' ' TRP . 54.0 Cg_endo -69.67 168.34 21.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.741 2.294 . . . . 0.0 112.356 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 105.52 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.15 -21.19 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.607 ' CZ2' ' HB2' ' A' ' 37' ' ' PRO . 96.1 m95 -76.01 161.7 28.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 -151.33 125.1 9.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -87.84 112.97 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 22' ' ' THR . 2.6 mm -101.39 154.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -128.11 107.94 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -119.3 167.5 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.97 -25.11 42.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.68 -42.97 49.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.071 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.97 -141.38 6.94 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ILE . 86.3 m -134.98 124.42 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.715 0.293 . . . . 0.0 111.167 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -127.18 173.61 9.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.492 ' CZ ' ' HD3' ' A' ' 36' ' ' ARG . 89.3 m-85 -117.95 129.51 55.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' HB2' HG22 ' A' ' 32' ' ' THR . 1.2 t90 -120.02 123.99 44.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' CD2' ' HD2' ' A' ' 28' ' ' PRO . 4.6 t-160 -92.17 126.7 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 2.3 t -67.56 -54.7 16.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.68 0.752 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 27' ' ' VAL . 54.5 Cg_endo -69.65 -50.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.668 2.245 . . . . 0.0 112.43 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' CB ' ' ND1' ' A' ' 26' ' ' HIS . 8.1 t -77.47 -1.06 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 29' ' ' SER . . . 34.87 31.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' SER . 68.4 m -110.41 135.07 51.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.836 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 25' ' ' TRP . 80.6 p -119.32 112.39 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.19 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -115.6 165.59 12.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -86.62 -36.05 19.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -84.43 -175.62 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HD3' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -80.45 117.78 69.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.547 0.689 . . . . 0.0 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.903 ' HG2' HD22 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.84 153.8 68.17 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.242 . . . . 0.0 112.297 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.4 p -128.05 152.13 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 43.3 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.997 . . . . . . . . 0 0 . 1 stop_ save_