data_2ede_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 2ede _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.419 0.455 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' CG ' HG21 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CH2' HD11 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 71' ' ' HIS . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.514 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.414 ' CD2' HD22 ' A' ' 46' ' ' LEU . 78.3 t60 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 74' ' ' MET . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.476 ' N ' HG23 ' A' ' 73' ' ' ILE . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.433 ' HE2' ' N ' ' A' ' 104' ' ' ARG . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.7 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 95' ' ' GLY . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' N ' ' HE2' ' A' ' 81' ' ' MET . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.437 0.465 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 84' ' ' PHE . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 84' ' ' PHE . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.429 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.429 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' CE2' ' A' ' 59' ' ' TRP . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 49' ' ' THR . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 67.7 t60 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 82' ' ' TYR . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.409 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.47 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.459 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 121.425 0.458 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 84' ' ' PHE . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' CG ' HD13 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.617 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.524 HD12 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CD2' HD21 ' A' ' 46' ' ' LEU . 73.5 t60 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' NE ' ' A' ' 25' ' ' ARG . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 87' ' ' GLN . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.456 ' N ' HG12 ' A' ' 86' ' ' ILE . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 102' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 101' ' ' ILE . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.4 0.444 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.434 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' CD ' ' HA ' ' A' ' 87' ' ' GLN . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.492 HG22 ' CD2' ' A' ' 59' ' ' TRP . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.498 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.572 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.437 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 74' ' ' MET . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.431 ' N ' HG21 ' A' ' 73' ' ' ILE . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.469 ' HE2' ' N ' ' A' ' 104' ' ' ARG . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.498 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 87' ' ' GLN . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.469 ' N ' ' HE2' ' A' ' 81' ' ' MET . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.468 0.482 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 86' ' ' ILE . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.499 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' HD13 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' C ' HG11 ' A' ' 27' ' ' VAL . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 26' ' ' ALA . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 84' ' ' PHE . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CH2' ' C ' ' A' ' 70' ' ' THR . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 41' ' ' ILE . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.452 HG23 ' CE2' ' A' ' 59' ' ' TRP . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 49' ' ' THR . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.556 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 64.6 t60 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.431 ' HE2' ' NE ' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 29' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.472 HG12 ' N ' ' A' ' 87' ' ' GLN . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.428 ' CB ' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.431 ' NE ' ' HE2' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.452 0.473 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 86' ' ' ILE . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 84' ' ' PHE . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.613 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' CE2' HG13 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.499 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.441 0.467 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 66.1 m-20 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 71' ' ' HIS . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 ' CE3' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.489 ' CE3' HG22 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.415 ' CD2' HD21 ' A' ' 46' ' ' LEU . 79.7 t60 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 74' ' ' MET . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.449 ' N ' HG23 ' A' ' 73' ' ' ILE . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.8 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 95' ' ' GLY . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.447 0.47 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.429 HG21 ' ND2' ' A' ' 38' ' ' ASN . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.42 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HD13 ' CG ' ' A' ' 20' ' ' ARG . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' ND2' HG21 ' A' ' 9' ' ' THR . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.414 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.542 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.533 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 72.1 t60 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.573 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.542 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 15' ' ' LEU . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 95' ' ' GLY . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.455 0.475 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.403 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' A' ' 84' ' ' PHE . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CH2' ' C ' ' A' ' 70' ' ' THR . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 41' ' ' ILE . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.485 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.485 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.555 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 87' ' ' GLN . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.605 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.0 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 90' ' ' ASN . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 95' ' ' GLY . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 121.412 0.451 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 84' ' ' PHE . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' HG12 ' A' ' 27' ' ' VAL . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' C ' ' A' ' 26' ' ' ALA . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 ' CE1' ' A' ' 84' ' ' PHE . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HG21 ' CE2' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.518 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG23 ' CE1' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.563 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 86' ' ' ILE . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.449 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.448 0.471 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CD2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.522 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.9 t60 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.416 ' HE1' ' C ' ' A' ' 102' ' ' LEU . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.451 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.2 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 95' ' ' GLY . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.498 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' C ' ' HE1' ' A' ' 81' ' ' MET . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.388 0.438 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' HG13 ' A' ' 27' ' ' VAL . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' C ' ' A' ' 26' ' ' ALA . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 84' ' ' PHE . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 42' ' ' THR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 41' ' ' ILE . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.417 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.514 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.567 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.5 t60 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.414 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.443 ' N ' HG12 ' A' ' 86' ' ' ILE . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.435 0.464 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG22 ' CE1' ' A' ' 84' ' ' PHE . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 51' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CE2' HG23 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.404 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.6 t60 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 74' ' ' MET . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.456 ' N ' HG21 ' A' ' 73' ' ' ILE . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 29' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' NE2' ' A' ' 87' ' ' GLN . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.471 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CH2' HD11 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.412 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.405 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 61.7 t60 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 78' ' ' LEU . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.421 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.416 ' CB ' HD12 ' A' ' 45' ' ' ILE . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.452 0.473 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 101' ' ' ILE . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' HD22 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 69' ' ' LEU . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 HG23 ' CE1' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE1' HG23 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.615 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.534 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD21 ' CD1' ' A' ' 31' ' ' TRP . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.472 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 87' ' ' GLN . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 38' ' ' ASN . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.506 0.503 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.459 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CD ' ' HA ' ' A' ' 87' ' ' GLN . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 70' ' ' THR . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.562 HG21 ' CE3' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CE3' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 61' ' ' MET . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 80.9 t60 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.459 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 HG21 ' NE2' ' A' ' 87' ' ' GLN . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 47' ' ' PHE . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.414 0.452 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' ARG . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' CG ' HD12 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 84' ' ' PHE . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' ' C ' ' A' ' 70' ' ' THR . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 44' ' ' TYR . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CE1' HG22 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.504 ' CE1' HG22 ' A' ' 60' ' ' ILE . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 48' ' ' TYR . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.594 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 61' ' ' MET . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 78.5 t60 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 74' ' ' MET . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 73' ' ' ILE . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.529 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 2.9 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.451 HG22 ' NE2' ' A' ' 87' ' ' GLN . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.467 0.482 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 HG21 ' CE2' ' A' ' 84' ' ' PHE . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CH2' HD11 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 70.1 m-80 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.414 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.561 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 81.4 t60 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 74' ' ' MET . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.449 ' N ' HG21 ' A' ' 73' ' ' ILE . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 78' ' ' LEU . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.462 ' NE2' HG22 ' A' ' 94' ' ' VAL . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.462 HG22 ' NE2' ' A' ' 87' ' ' GLN . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.458 0.477 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 76' ' ' LEU . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 84' ' ' PHE . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.503 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.56 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 46' ' ' LEU . 77.6 t60 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 74' ' ' MET . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.422 ' N ' HG22 ' A' ' 73' ' ' ILE . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 27' ' ' VAL . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 29' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 31' ' ' TRP . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.419 0.455 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.41 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.543 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.492 HG22 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' CE2' HG22 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.2 t60 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 95' ' ' GLY . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -98.99 80.67 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -99.55 40.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.85 46.46 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -86.34 96.34 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -104.32 -60.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 171.09 28.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' CG ' HG21 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CH2' HD11 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD22 ' CD2' ' A' ' 71' ' ' HIS . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.514 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.516 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.414 ' CD2' HD22 ' A' ' 46' ' ' LEU . 78.3 t60 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 74' ' ' MET . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.476 ' N ' HG23 ' A' ' 73' ' ' ILE . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.433 ' HE2' ' N ' ' A' ' 104' ' ' ARG . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.509 ' CZ ' HG12 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.7 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.466 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 95' ' ' GLY . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' N ' ' HE2' ' A' ' 81' ' ' MET . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -46.65 167.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 103.05 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.86 -45.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.4 m -99.35 88.61 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.75 145.38 15.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t 74.51 48.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -63.93 -52.05 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -80.33 91.08 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -155.08 109.12 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.79 -43.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -39.49 124.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -127.17 -36.76 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.85 167.92 33.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 84' ' ' PHE . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 84' ' ' PHE . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.429 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' CE2' ' A' ' 59' ' ' TRP . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.569 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.469 ' CE2' HG23 ' A' ' 49' ' ' THR . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 67.7 t60 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 82' ' ' TYR . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.409 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.47 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.459 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.461 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.55 -174.76 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 132.19 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 78' ' ' LEU . 3.3 m -77.6 67.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.2 p -62.22 -46.82 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.77 158.91 23.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -96.55 99.61 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.8 t -95.84 -59.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.58 127.84 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -136.08 115.45 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -70.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -86.34 111.07 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -139.06 105.78 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.15 -170.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.462 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 84' ' ' PHE . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' CG ' HD13 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD13 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.617 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.524 HD12 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CD2' HD21 ' A' ' 46' ' ' LEU . 73.5 t60 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 HD23 ' NE ' ' A' ' 25' ' ' ARG . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.554 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 87' ' ' GLN . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.456 ' N ' HG12 ' A' ' 86' ' ' ILE . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 102' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 101' ' ' ILE . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -49.87 165.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 111.95 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.65 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.9 m -110.35 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.83 164.37 17.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.87 38.84 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -63.48 -12.23 30.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.7 t -74.94 116.04 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -47.8 82.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -75.06 166.14 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -114.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -61.7 122.84 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -125.64 100.63 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.47 -174.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' CD ' ' HA ' ' A' ' 87' ' ' GLN . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 84' ' ' PHE . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' CG2' HG21 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.492 HG22 ' CD2' ' A' ' 59' ' ' TRP . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.498 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.572 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.437 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 74' ' ' MET . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.431 ' N ' HG21 ' A' ' 73' ' ' ILE . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.469 ' HE2' ' N ' ' A' ' 104' ' ' ARG . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.498 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 87' ' ' GLN . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.469 ' N ' ' HE2' ' A' ' 81' ' ' MET . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.9 171.13 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -123.99 106.48 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.46 87.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.3 m -136.75 133.97 36.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.44 161.37 27.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 86.82 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.3 p -84.47 42.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.0 t -117.25 117.13 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -91.84 89.51 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -157.32 120.39 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 -49.93 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -92.37 110.26 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -130.02 98.28 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.51 -166.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 86' ' ' ILE . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.499 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' HD13 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' C ' HG11 ' A' ' 27' ' ' VAL . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG11 ' C ' ' A' ' 26' ' ' ALA . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 84' ' ' PHE . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CH2' ' C ' ' A' ' 70' ' ' THR . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 41' ' ' ILE . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 HG23 ' CE2' ' A' ' 59' ' ' TRP . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 49' ' ' THR . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.556 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 64.6 t60 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.431 ' HE2' ' NE ' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 29' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.472 HG12 ' N ' ' A' ' 87' ' ' GLN . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.428 ' CB ' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.431 ' NE ' ' HE2' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.45 179.81 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' C ' HG21 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -113.25 104.1 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.839 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 HG21 ' C ' ' A' ' 107' ' ' LYS . 89.7 t -141.92 134.63 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.3 p -119.78 -57.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.85 156.02 24.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.22 46.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 t -77.61 158.55 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 m -121.59 153.02 38.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 61.27 39.67 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.51 150.55 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.72 86.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -95.74 97.9 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -115.26 110.27 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.98 -165.84 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 86' ' ' ILE . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 84' ' ' PHE . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.613 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.496 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.485 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.44 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' CE2' HG13 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.499 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.72 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -129.54 139.17 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.6 m -116.62 -21.03 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.1 t 52.36 47.16 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.28 135.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.6 t -86.57 116.2 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -78.36 105.01 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -47.91 -49.68 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -64.36 154.66 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -44.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -83.51 98.9 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -112.69 125.18 54.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.98 -166.43 17.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.538 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 66.1 m-20 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 71' ' ' HIS . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.489 HG22 ' CE3' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.489 ' CE3' HG22 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.504 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.415 ' CD2' HD21 ' A' ' 46' ' ' LEU . 79.7 t60 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 74' ' ' MET . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.449 ' N ' HG23 ' A' ' 73' ' ' ILE . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.558 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.8 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 95' ' ' GLY . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.25 160.32 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -121.49 116.0 23.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.3 m -82.72 45.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -42.29 -33.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.85 170.08 13.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.37 16.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -74.14 91.77 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 p -153.44 175.87 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -166.57 132.07 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.65 44.4 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 98.72 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -162.47 -174.99 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 m 62.81 34.33 14.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.05 154.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.429 HG21 ' ND2' ' A' ' 38' ' ' ASN . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HD13 ' CG ' ' A' ' 20' ' ' ARG . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' ND2' HG21 ' A' ' 9' ' ' THR . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.414 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.466 ' N ' HD13 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.542 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.533 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 72.1 t60 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.573 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.542 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 15' ' ' LEU . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 95' ' ' GLY . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.92 173.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 107' ' ' LYS . 2.1 mppt? -127.48 107.14 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.92 149.18 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.1 p -119.07 114.08 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.03 132.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.4 p -102.99 165.86 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -80.34 -43.77 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 p -96.59 90.04 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 m -116.09 105.23 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.18 90.51 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.0 OUTLIER -125.91 -39.79 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 m -33.22 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -33.71 147.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG21 ' CE1' ' A' ' 84' ' ' PHE . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CH2' ' C ' ' A' ' 70' ' ' THR . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 41' ' ' ILE . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.516 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.485 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.464 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.485 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.555 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 87' ' ' GLN . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.605 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.0 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.469 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 5' ' ' SER . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 95' ' ' GLY . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.52 173.8 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 106.07 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 65.7 t -109.76 96.64 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -108.64 168.59 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.02 -167.29 11.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.86 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -171.08 150.34 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t 66.79 43.75 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -121.66 -48.52 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 94.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.25 88.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -134.98 141.85 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -133.94 -70.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 -179.96 17.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.561 HG12 ' CE2' ' A' ' 84' ' ' PHE . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' C ' HG12 ' A' ' 27' ' ' VAL . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' C ' ' A' ' 26' ' ' ALA . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 ' CE1' ' A' ' 84' ' ' PHE . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HG21 ' CE2' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CE1' HG23 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.518 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG23 ' CE1' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.563 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' HG12 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.446 ' N ' ' CG1' ' A' ' 86' ' ' ILE . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.449 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.02 174.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -132.72 120.2 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.43 47.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -40.87 -51.64 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.6 -171.51 29.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.58 68.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -102.51 113.49 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -45.49 -54.61 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -84.88 42.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -57.39 163.51 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -54.47 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -70.27 94.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -101.62 107.2 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.85 -162.51 5.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG23 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CE1' HG23 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' CD2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.522 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.9 t60 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' CD1' HG23 ' A' ' 108' ' ' VAL . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.416 ' HE1' ' C ' ' A' ' 102' ' ' LEU . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.451 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.2 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 95' ' ' GLY . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.498 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' C ' ' HE1' ' A' ' 81' ' ' MET . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.04 165.23 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -124.98 98.03 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 78' ' ' LEU . 29.5 m -74.35 169.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 m -138.34 -178.32 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.73 140.47 17.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.31 18.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -68.03 93.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -116.87 -57.04 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.425 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -115.72 166.79 11.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -149.17 115.19 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.84 57.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 44.89 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.54 121.58 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.56 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 84' ' ' PHE . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' C ' HG13 ' A' ' 27' ' ' VAL . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG13 ' C ' ' A' ' 26' ' ' ALA . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 84' ' ' PHE . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 42' ' ' THR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 ' N ' HG23 ' A' ' 41' ' ' ILE . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.417 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.514 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.567 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.5 t60 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.414 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG12 ' N ' ' A' ' 87' ' ' GLN . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.443 ' N ' HG12 ' A' ' 86' ' ' ILE . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 56' ' ' ILE . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.416 ' C ' ' HE2' ' A' ' 107' ' ' LYS . 9.5 mt -63.55 160.56 16.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -96.17 128.91 43.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.9 p -119.59 29.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 p -73.1 146.58 45.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.87 164.9 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.5 t -38.38 122.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.0 m -121.97 156.09 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -85.8 127.25 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -91.1 86.25 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 -79.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 p -124.73 122.24 36.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -86.99 -39.61 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.98 168.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG22 ' CE1' ' A' ' 84' ' ' PHE . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.499 HG23 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 51' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.499 ' CE2' HG23 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.404 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.6 t60 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 74' ' ' MET . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.456 ' N ' HG21 ' A' ' 73' ' ' ILE . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 29' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' NE2' ' A' ' 87' ' ' GLN . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HA ' ' NZ ' ' A' ' 107' ' ' LYS . 10.2 mt -63.24 159.19 18.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.408 ' NZ ' ' HA ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -115.95 99.29 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.5 p -86.38 111.54 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -74.63 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.45 145.87 12.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.53 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.8 p -98.15 133.31 42.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -100.05 161.31 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -76.68 98.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -71.72 -51.64 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.12 -92.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -42.04 106.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -107.59 -61.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 171.82 29.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.464 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.565 ' CH2' HD11 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.592 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.412 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.405 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.565 HD11 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 61.7 t60 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 78' ' ' LEU . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.421 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.416 ' CB ' HD12 ' A' ' 45' ' ' ILE . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.467 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.65 172.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 112.54 13.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.7 m -81.32 47.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 m -67.91 -54.6 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 154.53 141.22 3.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.74 51.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -48.38 106.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -54.09 -51.79 63.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -112.84 146.36 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -103.99 107.45 18.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.27 144.17 17.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -99.91 123.36 44.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -152.91 111.91 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.63 -172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 101' ' ' ILE . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' CG ' HD22 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.562 ' CD1' HD21 ' A' ' 69' ' ' LEU . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' O ' ' NZ ' ' A' ' 92' ' ' LYS . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 HG23 ' CE1' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE1' HG23 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.615 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.574 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.554 HG22 ' CE1' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.534 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD21 ' CD1' ' A' ' 31' ' ' TRP . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.494 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.472 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 87' ' ' GLN . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 38' ' ' ASN . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 15' ' ' LEU . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.89 169.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.83 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.53 94.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -95.9 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.15 -171.69 18.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.42 21.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.6 m 53.27 42.35 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' SER . 47.7 t -37.56 106.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -98.83 141.16 31.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -88.42 44.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.73 -86.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -166.33 123.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -148.07 105.71 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.63 -175.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' CD ' ' HA ' ' A' ' 87' ' ' GLN . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CZ3' ' HA ' ' A' ' 70' ' ' THR . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.489 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.561 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.562 HG21 ' CE3' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.562 ' CE3' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 61' ' ' MET . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 80.9 t60 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.418 ' CD1' HG22 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.459 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 HG21 ' NE2' ' A' ' 87' ' ' GLN . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 47' ' ' PHE . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.0 172.36 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.09 104.52 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -78.49 49.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.0 m -64.81 -39.74 94.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.12 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.48 40.36 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.0 p -126.02 168.05 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 p -170.33 161.35 8.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -158.98 142.96 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -152.6 110.03 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.29 -153.15 9.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -49.16 139.46 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -115.8 -45.37 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.41 163.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 20' ' ' ARG . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' CG ' HD12 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG23 ' CE1' ' A' ' 84' ' ' PHE . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CH2' ' C ' ' A' ' 70' ' ' THR . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' A' ' 44' ' ' TYR . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CE1' HG22 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.504 ' CE1' HG22 ' A' ' 60' ' ' ILE . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.529 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 48' ' ' TYR . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.594 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' A' ' 61' ' ' MET . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.491 HD12 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 78.5 t60 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 74' ' ' MET . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 73' ' ' ILE . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.529 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' CG1' ' N ' ' A' ' 87' ' ' GLN . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 2.9 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.451 HG22 ' NE2' ' A' ' 87' ' ' GLN . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.34 166.04 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -129.28 99.2 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -97.56 -17.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.8 p -106.76 73.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.28 -174.62 15.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.7 Cg_endo -69.72 128.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 1.4 t 38.19 44.34 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 p -55.69 135.24 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -116.22 120.57 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -96.23 88.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.54 -92.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -56.75 149.94 17.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -128.12 -44.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.34 166.57 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' CD1' ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 HG13 ' CZ ' ' A' ' 84' ' ' PHE . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 HG21 ' CE2' ' A' ' 84' ' ' PHE . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.561 ' CH2' HD11 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 70.1 m-80 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG23 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CE1' HG23 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.414 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.561 HD11 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 81.4 t60 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 74' ' ' MET . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.449 ' N ' HG21 ' A' ' 73' ' ' ILE . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 108' ' ' VAL . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.462 ' NE2' HG22 ' A' ' 94' ' ' VAL . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.462 HG22 ' NE2' ' A' ' 87' ' ' GLN . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.4 ' CD1' ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -63.13 176.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 115.86 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 78' ' ' LEU . 77.6 t -70.68 120.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 t -157.97 105.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.12 -175.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -18.43 36.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.5 m -136.47 133.62 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 m -83.47 -45.21 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.44 162.32 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -126.69 152.36 46.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 108.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -87.71 111.49 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -112.19 112.14 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.71 -153.38 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.463 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD2' ' CD1' ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 76' ' ' LEU . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 84' ' ' PHE . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.56 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.503 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 HD13 ' N ' ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.56 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.491 ' CD2' HD23 ' A' ' 46' ' ' LEU . 77.6 t60 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 74' ' ' MET . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.422 ' N ' HG22 ' A' ' 73' ' ' ILE . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' CD1' HG21 ' A' ' 27' ' ' VAL . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD2' HG22 ' A' ' 29' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 31' ' ' TRP . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' CD ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.39 165.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -97.86 118.19 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.78 30.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.5 t -88.47 91.66 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.11 157.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 145.74 58.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.406 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 t -48.58 139.25 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t 38.97 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -74.95 -44.26 49.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -75.01 143.31 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.74 -50.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -72.53 123.95 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -115.25 83.82 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.24 -164.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD2' ' CB ' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD1' HG22 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.558 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.41 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.543 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.492 HG22 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.492 ' CE2' HG22 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 48' ' ' TYR . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD12 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.2 t60 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.408 ' HB3' ' CG ' ' A' ' 107' ' ' LYS . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 95' ' ' GLY . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.406 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.415 ' C ' ' HD2' ' A' ' 107' ' ' LYS . 11.3 mt -54.16 170.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 106' ' ' LEU . 3.3 mptt -135.52 116.02 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 109' ' ' SER . 22.8 m -72.54 -44.07 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 108' ' ' VAL . 10.2 t -125.03 152.08 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.09 -131.94 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.73 45.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.5 t -63.69 -175.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' SER . 2.0 m 36.22 41.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.419 0.455 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.816 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 29' ' ' VAL . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.535 ' HA ' HG12 ' A' ' 27' ' ' VAL . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 28' ' ' ILE . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 HD13 ' HG3' ' A' ' 72' ' ' GLN . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 17' ' ' VAL . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.806 ' CH2' HD13 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.765 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 47' ' ' PHE . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.745 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.522 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.522 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.806 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HG3' HD13 ' A' ' 28' ' ' ILE . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.549 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.816 HG23 ' CG ' ' A' ' 12' ' ' PRO . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.745 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 15.5 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HD3' HD11 ' A' ' 45' ' ' ILE . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HE2' ' A' ' 92' ' ' LYS . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.437 0.465 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 29' ' ' VAL . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.637 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 17' ' ' VAL . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.774 ' CH2' HD13 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.75 HG21 ' CE1' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.75 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.415 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.774 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 78' ' ' LEU . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.714 ' CD2' HG21 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.415 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.791 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 45' ' ' ILE . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ALA . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.631 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 121.425 0.458 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 101' ' ' ILE . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 29' ' ' VAL . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.592 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 19' ' ' THR . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 17' ' ' VAL . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.729 ' CH2' HD13 ' A' ' 64' ' ' ILE . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.3 m120 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 ' CE1' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.729 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HG3' HD13 ' A' ' 28' ' ' ILE . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' C ' HD22 ' A' ' 78' ' ' LEU . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.789 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.707 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 45' ' ' ILE . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.707 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.452 HD12 ' HG ' ' A' ' 15' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.4 0.444 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 29' ' ' VAL . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' THR . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.767 ' CH2' HD13 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.693 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.767 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.497 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.562 HG23 ' HG2' ' A' ' 12' ' ' PRO . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ALA . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.627 HD12 ' HG ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.468 0.482 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HG2' HG23 ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.797 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.577 ' HA ' HG12 ' A' ' 27' ' ' VAL . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.614 HH11 HD11 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 19' ' ' THR . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD11 HH11 ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 17' ' ' VAL . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 m120 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' A' ' 86' ' ' ILE . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 28' ' ' ILE . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.762 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD3' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.452 0.473 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 30' ' ' SER . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.956 HG21 ' CD2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' HG12 ' A' ' 27' ' ' VAL . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.962 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.962 HD11 ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 17' ' ' VAL . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 15' ' ' LEU . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' CE1' ' A' ' 44' ' ' TYR . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.685 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 45' ' ' ILE . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HB ' ' A' ' 86' ' ' ILE . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.707 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 50' ' ' LEU . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.883 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 78' ' ' LEU . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.956 ' CD2' HG21 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.707 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 21.8 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.441 0.467 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 29' ' ' VAL . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.845 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HD11 ' A' ' 78' ' ' LEU . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.845 HD11 ' CD ' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 17' ' ' VAL . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.726 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 14.3 m120 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.745 ' HE1' HE21 ' A' ' 87' ' ' GLN . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.429 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.726 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 76' ' ' LEU . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' C ' HD12 ' A' ' 78' ' ' LEU . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.662 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.745 HE21 ' HE1' ' A' ' 47' ' ' PHE . 25.2 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD3' HD11 ' A' ' 45' ' ' ILE . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 24' ' ' PRO . 10.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.447 0.47 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.855 HG21 ' CD2' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 72' ' ' GLN . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 17' ' ' VAL . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' A' ' 86' ' ' ILE . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.84 ' N ' HD12 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.645 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 28' ' ' ILE . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.48 ' C ' HD22 ' A' ' 78' ' ' LEU . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.855 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.555 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.756 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.455 0.475 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.813 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HE3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 30' ' ' SER . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 29' ' ' VAL . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HD2' HD11 ' A' ' 28' ' ' ILE . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CG ' HD11 ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' HD2' ' A' ' 20' ' ' ARG . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 17' ' ' VAL . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.525 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 ' CE1' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.774 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.588 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 47' ' ' PHE . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.758 ' HE1' HE21 ' A' ' 87' ' ' GLN . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.689 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.442 ' ND1' HD23 ' A' ' 46' ' ' LEU . 34.2 t-80 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 76' ' ' LEU . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 73' ' ' ILE . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.593 HD11 ' CG ' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.707 ' CD2' HG21 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.813 HG23 ' CG ' ' A' ' 12' ' ' PRO . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.758 HE21 ' HE1' ' A' ' 47' ' ' PHE . 19.1 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HD3' HD11 ' A' ' 45' ' ' ILE . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 90' ' ' ASN . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 27' ' ' VAL . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 121.412 0.451 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 30' ' ' SER . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 29' ' ' VAL . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.495 HH11 HD11 ' A' ' 28' ' ' ILE . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 78' ' ' LEU . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 HH11 ' A' ' 20' ' ' ARG . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 17' ' ' VAL . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.814 ' CH2' HD13 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' OH ' HG21 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 58' ' ' ASP . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.735 ' HB3' HD12 ' A' ' 54' ' ' ILE . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG21 ' OH ' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.674 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.752 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.448 0.471 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.685 ' HA ' HG12 ' A' ' 27' ' ' VAL . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HG2' HD21 ' A' ' 78' ' ' LEU . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 19' ' ' THR . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 17' ' ' VAL . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.676 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD12 ' HB ' ' A' ' 86' ' ' ILE . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.465 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 97' ' ' LEU . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.676 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.873 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.727 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 10.0 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 88' ' ' ALA . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD21 ' NE2' ' A' ' 87' ' ' GLN . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.388 0.438 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.855 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 29' ' ' VAL . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' THR . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.989 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 20' ' ' ARG . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 19' ' ' THR . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.989 HD11 ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 17' ' ' VAL . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.738 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.4 m120 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.743 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 41' ' ' ILE . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.496 HD12 ' HB ' ' A' ' 86' ' ' ILE . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' N ' HD12 ' A' ' 50' ' ' LEU . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.738 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.418 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.846 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 9.5 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.435 0.464 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.774 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 29' ' ' VAL . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.934 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.934 HD11 ' CD ' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 17' ' ' VAL . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.596 HG21 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.879 HD23 ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 58' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.442 HD13 ' HD3' ' A' ' 85' ' ' ARG . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB3' HD12 ' A' ' 54' ' ' ILE . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.887 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.879 ' CE1' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.655 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HD3' HD13 ' A' ' 56' ' ' ILE . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.774 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.482 HD12 ' HG ' ' A' ' 15' ' ' LEU . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.471 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 98' ' ' SER . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 28' ' ' ILE . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 78' ' ' LEU . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.561 HD13 ' HG3' ' A' ' 72' ' ' GLN . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG22 ' A' ' 17' ' ' VAL . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' CE1' ' A' ' 44' ' ' TYR . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 41' ' ' ILE . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 41' ' ' ILE . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 45' ' ' ILE . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 87' ' ' GLN . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' TYR . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.412 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.418 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.657 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 28' ' ' ILE . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG21 ' A' ' 105' ' ' THR . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.866 HD11 ' HG3' ' A' ' 25' ' ' ARG . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.422 ' SD ' HD23 ' A' ' 102' ' ' LEU . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.761 HG23 ' CG ' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 17.7 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.465 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 15' ' ' LEU . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' SD ' ' A' ' 81' ' ' MET . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' ASN . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.452 0.473 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.735 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HG3' HD21 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 72' ' ' GLN . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 17' ' ' VAL . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.754 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.622 ' NE2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD3' HD11 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.687 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.687 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 45' ' ' ILE . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD23 ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 50' ' ' LEU . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.462 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.754 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.622 HD13 ' NE2' ' A' ' 32' ' ' GLN . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 76' ' ' LEU . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.496 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.67 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.735 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.746 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 19' ' ' THR . 10.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.506 0.503 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.763 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.918 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' A' ' 78' ' ' LEU . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.918 HD11 ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 17' ' ' VAL . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.662 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HE2' HG22 ' A' ' 42' ' ' THR . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 40' ' ' LYS . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.834 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 45' ' ' ILE . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 47' ' ' PHE . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.453 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.665 HG22 ' OE1' ' A' ' 62' ' ' GLU . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' OE1' HG22 ' A' ' 60' ' ' ILE . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG3' HD13 ' A' ' 28' ' ' ILE . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 76' ' ' LEU . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.763 HG23 ' CG ' ' A' ' 12' ' ' PRO . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HB2' HG23 ' A' ' 94' ' ' VAL . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 89' ' ' ARG . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HG ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.414 0.452 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 88' ' ' ALA . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.852 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.852 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.79 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' HD12 ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.943 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 17' ' ' VAL . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.703 ' CH2' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.629 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 86' ' ' ILE . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.707 ' N ' HD12 ' A' ' 50' ' ' LEU . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' C ' HD12 ' A' ' 78' ' ' LEU . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.792 ' CD2' HG21 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.668 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 21.3 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HG ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.467 0.482 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 29' ' ' VAL . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.855 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 19' ' ' THR . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.855 HD11 ' CD ' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 17' ' ' VAL . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.764 ' CH2' HD13 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 31.0 m120 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.591 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.429 HG12 HD11 ' A' ' 97' ' ' LEU . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.414 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG3' HD13 ' A' ' 28' ' ' ILE . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 78' ' ' LEU . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.665 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.745 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.458 0.477 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 30' ' ' SER . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 29' ' ' VAL . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.923 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 ' CD ' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 17' ' ' VAL . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 15' ' ' LEU . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.571 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD23 ' ND1' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.48 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.607 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.48 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.827 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.446 ' ND1' HD23 ' A' ' 46' ' ' LEU . 40.3 t-80 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.674 ' C ' HD22 ' A' ' 78' ' ' LEU . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 77' ' ' ASN . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 17' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CB ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.3 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.419 0.455 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 17' ' ' VAL . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CD2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.644 HG21 ' HG ' ' A' ' 106' ' ' LEU . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' HD11 ' A' ' 28' ' ' ILE . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 17' ' ' VAL . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 64' ' ' ILE . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.528 ' NE2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.894 HG21 ' CE1' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' HH11 ' A' ' 89' ' ' ARG . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.894 ' CE1' HG21 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.603 HG21 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 50' ' ' LEU . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 51' ' ' ASP . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.524 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CE2' HG21 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.697 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' C ' HD22 ' A' ' 78' ' ' LEU . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.843 ' CD2' HG21 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.644 ' HG ' HG21 ' A' ' 19' ' ' THR . 11.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -98.99 80.67 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -99.55 40.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.85 46.46 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -86.34 96.34 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -104.32 -60.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 171.09 28.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.816 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 29' ' ' VAL . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.535 ' HA ' HG12 ' A' ' 27' ' ' VAL . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 28' ' ' ILE . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 HD13 ' HG3' ' A' ' 72' ' ' GLN . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 17' ' ' VAL . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.806 ' CH2' HD13 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.765 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 47' ' ' PHE . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.745 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.522 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.522 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.806 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HG3' HD13 ' A' ' 28' ' ' ILE . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.549 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.816 HG23 ' CG ' ' A' ' 12' ' ' PRO . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.745 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 15.5 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HD3' HD11 ' A' ' 45' ' ' ILE . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HE2' ' A' ' 92' ' ' LYS . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt -46.65 167.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 103.05 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 109' ' ' SER . 27.6 m -75.86 -45.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 108' ' ' VAL . 19.4 m -99.35 88.61 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.75 145.38 15.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t 74.51 48.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -63.93 -52.05 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -80.33 91.08 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -155.08 109.12 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.79 -43.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -39.49 124.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -127.17 -36.76 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.85 167.92 33.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 29' ' ' VAL . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.637 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 17' ' ' VAL . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.774 ' CH2' HD13 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.75 HG21 ' CE1' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.75 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.415 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.774 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 78' ' ' LEU . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.714 ' CD2' HG21 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.415 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.791 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 45' ' ' ILE . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ALA . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.631 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.55 -174.76 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 132.19 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 78' ' ' LEU . 3.3 m -77.6 67.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.2 p -62.22 -46.82 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.77 158.91 23.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -96.55 99.61 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.8 t -95.84 -59.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.58 127.84 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -136.08 115.45 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -70.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -86.34 111.07 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -139.06 105.78 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.15 -170.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 101' ' ' ILE . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 29' ' ' VAL . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.592 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 19' ' ' THR . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 17' ' ' VAL . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.729 ' CH2' HD13 ' A' ' 64' ' ' ILE . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.3 m120 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 ' CE1' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.729 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HG3' HD13 ' A' ' 28' ' ' ILE . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' C ' HD22 ' A' ' 78' ' ' LEU . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.789 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.707 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 45' ' ' ILE . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.707 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.452 HD12 ' HG ' ' A' ' 15' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.1 mt -49.87 165.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 111.95 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.65 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.9 m -110.35 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.83 164.37 17.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.87 38.84 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -63.48 -12.23 30.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.7 t -74.94 116.04 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -47.8 82.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -75.06 166.14 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -114.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -61.7 122.84 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -125.64 100.63 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.47 -174.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 29' ' ' VAL . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' THR . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 108' ' ' VAL . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.767 ' CH2' HD13 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.693 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.767 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.402 HD23 ' H ' ' A' ' 108' ' ' VAL . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.497 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.562 HG23 ' HG2' ' A' ' 12' ' ' PRO . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ALA . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.627 HD12 ' HG ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.9 171.13 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -123.99 106.48 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HG3' ' A' ' 24' ' ' PRO . 57.6 t -112.46 87.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.3 m -136.75 133.97 36.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.44 161.37 27.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 86.82 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.3 p -84.47 42.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.0 t -117.25 117.13 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -91.84 89.51 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -157.32 120.39 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 -49.93 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -92.37 110.26 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -130.02 98.28 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.51 -166.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HG2' HG23 ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.797 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.577 ' HA ' HG12 ' A' ' 27' ' ' VAL . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.614 HH11 HD11 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 19' ' ' THR . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD11 HH11 ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 17' ' ' VAL . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 m120 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD12 ' HB ' ' A' ' 86' ' ' ILE . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 28' ' ' ILE . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.762 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD3' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.45 179.81 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.25 104.1 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.7 t -141.92 134.63 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.3 p -119.78 -57.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.85 156.02 24.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.22 46.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 t -77.61 158.55 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 m -121.59 153.02 38.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 61.27 39.67 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.51 150.55 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.72 86.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -95.74 97.9 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -115.26 110.27 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.98 -165.84 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 30' ' ' SER . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.956 HG21 ' CD2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' HG12 ' A' ' 27' ' ' VAL . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.962 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.962 HD11 ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 17' ' ' VAL . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 15' ' ' LEU . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' CE1' ' A' ' 44' ' ' TYR . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.685 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.621 ' N ' HD12 ' A' ' 45' ' ' ILE . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HB ' ' A' ' 86' ' ' ILE . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.707 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' H ' ' A' ' 50' ' ' LEU . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.883 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 78' ' ' LEU . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.956 ' CD2' HG21 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.707 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 21.8 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.72 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.54 139.17 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.6 m -116.62 -21.03 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.1 t 52.36 47.16 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.28 135.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.6 t -86.57 116.2 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -78.36 105.01 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -47.91 -49.68 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -64.36 154.66 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -44.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -83.51 98.9 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -112.69 125.18 54.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.98 -166.43 17.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 29' ' ' VAL . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.845 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HD11 ' A' ' 78' ' ' LEU . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.845 HD11 ' CD ' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 17' ' ' VAL . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.726 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 14.3 m120 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.745 ' HE1' HE21 ' A' ' 87' ' ' GLN . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.429 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.726 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 76' ' ' LEU . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' C ' HD12 ' A' ' 78' ' ' LEU . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.662 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.745 HE21 ' HE1' ' A' ' 47' ' ' PHE . 25.2 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD3' HD11 ' A' ' 45' ' ' ILE . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 24' ' ' PRO . 10.6 mt -61.25 160.32 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -121.49 116.0 23.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 78' ' ' LEU . 27.3 m -82.72 45.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -42.29 -33.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.85 170.08 13.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.37 16.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -74.14 91.77 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 p -153.44 175.87 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -166.57 132.07 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.65 44.4 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 98.72 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -162.47 -174.99 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 m 62.81 34.33 14.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.05 154.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.855 HG21 ' CD2' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 72' ' ' GLN . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 17' ' ' VAL . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.435 HD12 ' HB ' ' A' ' 86' ' ' ILE . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.84 ' N ' HD12 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.645 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 28' ' ' ILE . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.48 ' C ' HD22 ' A' ' 78' ' ' LEU . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.855 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.555 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.756 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.92 173.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 107' ' ' LYS . 2.1 mppt? -127.48 107.14 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.92 149.18 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.1 p -119.07 114.08 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.03 132.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.4 p -102.99 165.86 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -80.34 -43.77 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 p -96.59 90.04 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 m -116.09 105.23 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.18 90.51 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.0 OUTLIER -125.91 -39.79 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 m -33.22 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -33.71 147.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.813 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HE3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 30' ' ' SER . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 29' ' ' VAL . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HD2' HD11 ' A' ' 28' ' ' ILE . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CG ' HD11 ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' HD2' ' A' ' 20' ' ' ARG . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 17' ' ' VAL . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.525 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 ' CE1' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.774 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.588 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 47' ' ' PHE . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.758 ' HE1' HE21 ' A' ' 87' ' ' GLN . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.689 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.442 ' ND1' HD23 ' A' ' 46' ' ' LEU . 34.2 t-80 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 76' ' ' LEU . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 73' ' ' ILE . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.593 HD11 ' CG ' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.707 ' CD2' HG21 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.813 HG23 ' CG ' ' A' ' 12' ' ' PRO . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.758 HE21 ' HE1' ' A' ' 47' ' ' PHE . 19.1 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HD3' HD11 ' A' ' 45' ' ' ILE . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 5' ' ' SER . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 27' ' ' VAL . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.9 mt -65.52 173.8 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 106.07 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 65.7 t -109.76 96.64 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -108.64 168.59 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.02 -167.29 11.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.86 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -171.08 150.34 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t 66.79 43.75 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -121.66 -48.52 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 94.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.25 88.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -134.98 141.85 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' H ' ' HZ3' ' A' ' 92' ' ' LYS . 3.3 t -133.94 -70.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 -179.96 17.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 30' ' ' SER . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 29' ' ' VAL . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.495 HH11 HD11 ' A' ' 28' ' ' ILE . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 78' ' ' LEU . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 HH11 ' A' ' 20' ' ' ARG . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 17' ' ' VAL . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.814 ' CH2' HD13 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' OH ' HG21 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 58' ' ' ASP . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.735 ' HB3' HD12 ' A' ' 54' ' ' ILE . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG21 ' OH ' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.674 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.752 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HZ3' ' H ' ' A' ' 6' ' ' SER . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.2 mt -65.02 174.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -132.72 120.2 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.43 47.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -40.87 -51.64 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.6 -171.51 29.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.58 68.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -102.51 113.49 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -45.49 -54.61 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -84.88 42.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -57.39 163.51 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -54.47 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -70.27 94.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -101.62 107.2 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.85 -162.51 5.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.685 ' HA ' HG12 ' A' ' 27' ' ' VAL . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HG2' HD21 ' A' ' 78' ' ' LEU . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 19' ' ' THR . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 17' ' ' VAL . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.676 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD12 ' HB ' ' A' ' 86' ' ' ILE . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.703 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.465 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 97' ' ' LEU . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.676 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD13 HG22 ' A' ' 108' ' ' VAL . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.873 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.727 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.703 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 10.0 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 88' ' ' ALA . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD21 ' NE2' ' A' ' 87' ' ' GLN . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.04 165.23 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -124.98 98.03 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.688 HG22 HD13 ' A' ' 78' ' ' LEU . 29.5 m -74.35 169.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 m -138.34 -178.32 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.73 140.47 17.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.31 18.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -68.03 93.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -116.87 -57.04 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.425 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -115.72 166.79 11.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -149.17 115.19 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.84 57.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 44.89 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.54 121.58 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.56 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.855 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 29' ' ' VAL . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' THR . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.989 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 20' ' ' ARG . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 19' ' ' THR . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.989 HD11 ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 17' ' ' VAL . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.738 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.4 m120 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.743 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 41' ' ' ILE . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 HD12 ' HB ' ' A' ' 86' ' ' ILE . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' N ' HD12 ' A' ' 50' ' ' LEU . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.738 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.418 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.846 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 9.5 mt -63.55 160.56 16.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.508 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -96.17 128.91 43.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 108' ' ' VAL . 8.9 p -119.59 29.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 p -73.1 146.58 45.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.87 164.9 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.5 t -38.38 122.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.0 m -121.97 156.09 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -85.8 127.25 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -91.1 86.25 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 -79.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' HB2' ' C ' ' A' ' 92' ' ' LYS . 26.1 p -124.73 122.24 36.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -86.99 -39.61 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.98 168.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.774 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 29' ' ' VAL . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.934 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.934 HD11 ' CD ' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 17' ' ' VAL . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.596 HG21 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.879 HD23 ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 58' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.442 HD13 ' HD3' ' A' ' 85' ' ' ARG . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB3' HD12 ' A' ' 54' ' ' ILE . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.887 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.879 ' CE1' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.655 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HD3' HD13 ' A' ' 56' ' ' ILE . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.774 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.482 HD12 ' HG ' ' A' ' 15' ' ' LEU . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 107' ' ' LYS . 10.2 mt -63.24 159.19 18.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -115.95 99.29 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 108' ' ' VAL . 14.5 p -86.38 111.54 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -74.63 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.45 145.87 12.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.53 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.8 p -98.15 133.31 42.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -100.05 161.31 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -76.68 98.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -71.72 -51.64 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.12 -92.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -42.04 106.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -107.59 -61.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 171.82 29.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 98' ' ' SER . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 28' ' ' ILE . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 78' ' ' LEU . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.561 HD13 ' HG3' ' A' ' 72' ' ' GLN . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG22 ' A' ' 17' ' ' VAL . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' CE1' ' A' ' 44' ' ' TYR . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 41' ' ' ILE . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 41' ' ' ILE . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 45' ' ' ILE . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 87' ' ' GLN . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' TYR . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.412 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.418 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.657 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 28' ' ' ILE . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG21 ' A' ' 105' ' ' THR . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.866 HD11 ' HG3' ' A' ' 25' ' ' ARG . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.422 ' SD ' HD23 ' A' ' 102' ' ' LEU . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.761 HG23 ' CG ' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 17.7 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.465 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 15' ' ' LEU . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' SD ' ' A' ' 81' ' ' MET . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' ASN . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 106' ' ' LEU . 11.0 mt -61.65 172.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 112.54 13.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.7 m -81.32 47.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 m -67.91 -54.6 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 154.53 141.22 3.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.74 51.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -48.38 106.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -54.09 -51.79 63.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -112.84 146.36 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -103.99 107.45 18.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.27 144.17 17.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -99.91 123.36 44.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -152.91 111.91 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.63 -172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.735 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.499 ' CG ' HG11 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HG3' HD21 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 72' ' ' GLN . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 17' ' ' VAL . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.754 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.622 ' NE2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD3' HD11 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.687 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.687 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 45' ' ' ILE . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD23 ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 50' ' ' LEU . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.462 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.754 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.622 HD13 ' NE2' ' A' ' 32' ' ' GLN . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 76' ' ' LEU . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.496 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.67 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.735 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.746 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 19' ' ' THR . 10.8 mt -59.89 169.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.83 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.499 HG11 ' CG ' ' A' ' 24' ' ' PRO . 1.4 p -125.53 94.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -95.9 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.15 -171.69 18.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.42 21.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.6 m 53.27 42.35 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' SER . 47.7 t -37.56 106.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -98.83 141.16 31.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -88.42 44.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.73 -86.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -166.33 123.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -148.07 105.71 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.63 -175.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.763 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.918 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' A' ' 78' ' ' LEU . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.918 HD11 ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 17' ' ' VAL . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.662 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HE2' HG22 ' A' ' 42' ' ' THR . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 40' ' ' LYS . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.834 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 45' ' ' ILE . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 47' ' ' PHE . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.453 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.665 HG22 ' OE1' ' A' ' 62' ' ' GLU . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' OE1' HG22 ' A' ' 60' ' ' ILE . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG3' HD13 ' A' ' 28' ' ' ILE . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 76' ' ' LEU . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 HG22 ' A' ' 108' ' ' VAL . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.763 HG23 ' CG ' ' A' ' 12' ' ' PRO . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HB2' HG23 ' A' ' 94' ' ' VAL . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 89' ' ' ARG . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HG ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.4 mt -66.0 172.36 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.09 104.52 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 108' ' ' VAL . 16.7 m -78.49 49.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.0 m -64.81 -39.74 94.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.12 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.48 40.36 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.0 p -126.02 168.05 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 p -170.33 161.35 8.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -158.98 142.96 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -152.6 110.03 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.29 -153.15 9.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -49.16 139.46 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -115.8 -45.37 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.41 163.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 88' ' ' ALA . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.852 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.852 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.79 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' HD12 ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.943 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 17' ' ' VAL . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.703 ' CH2' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.629 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 86' ' ' ILE . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' CE1' ' NE2' ' A' ' 87' ' ' GLN . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.707 ' N ' HD12 ' A' ' 50' ' ' LEU . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' C ' HD12 ' A' ' 78' ' ' LEU . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.636 HD23 HG12 ' A' ' 108' ' ' VAL . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.792 ' CD2' HG21 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.668 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 21.3 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HG ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.0 mt -68.34 166.04 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -129.28 99.2 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG12 HD23 ' A' ' 78' ' ' LEU . 13.0 p -97.56 -17.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.8 p -106.76 73.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.28 -174.62 15.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.7 Cg_endo -69.72 128.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 1.4 t 38.19 44.34 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 p -55.69 135.24 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -116.22 120.57 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -96.23 88.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.54 -92.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -56.75 149.94 17.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -128.12 -44.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.34 166.57 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 29' ' ' VAL . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.855 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 19' ' ' THR . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.855 HD11 ' CD ' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 17' ' ' VAL . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.764 ' CH2' HD13 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 31.0 m120 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.591 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.429 HG12 HD11 ' A' ' 97' ' ' LEU . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.414 ' N ' ' CD1' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG3' HD13 ' A' ' 28' ' ' ILE . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 78' ' ' LEU . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.665 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.745 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt -63.13 176.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 115.86 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 78' ' ' LEU . 77.6 t -70.68 120.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 t -157.97 105.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.12 -175.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -18.43 36.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.5 m -136.47 133.62 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 m -83.47 -45.21 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.44 162.32 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -126.69 152.36 46.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 108.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -87.71 111.49 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -112.19 112.14 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.71 -153.38 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 30' ' ' SER . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 29' ' ' VAL . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.923 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 ' CD ' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 17' ' ' VAL . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 15' ' ' LEU . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD23 ' ND1' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.48 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.607 HD23 ' H ' ' A' ' 50' ' ' LEU . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.48 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.827 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.446 ' ND1' HD23 ' A' ' 46' ' ' LEU . 40.3 t-80 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.674 ' C ' HD22 ' A' ' 78' ' ' LEU . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 77' ' ' ASN . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 17' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CB ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.3 mt -57.39 165.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' N ' ' HE3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -97.86 118.19 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 108' ' ' VAL . 7.3 p -96.78 30.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.5 t -88.47 91.66 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.11 157.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 145.74 58.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.406 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 t -48.58 139.25 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t 38.97 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -74.95 -44.26 49.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -75.01 143.31 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.74 -50.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -72.53 123.95 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -115.25 83.82 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.24 -164.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' ASP . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 17' ' ' VAL . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CD2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.644 HG21 ' HG ' ' A' ' 106' ' ' LEU . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' HD11 ' A' ' 28' ' ' ILE . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 17' ' ' VAL . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 64' ' ' ILE . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' NE2' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.894 HG21 ' CE1' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' HH11 ' A' ' 89' ' ' ARG . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.894 ' CE1' HG21 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.603 HG21 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.563 HD23 ' H ' ' A' ' 50' ' ' LEU . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 51' ' ' ASP . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.524 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CE2' HG21 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.697 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' C ' HD22 ' A' ' 78' ' ' LEU . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 107' ' ' LYS . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.843 ' CD2' HG21 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.644 ' HG ' HG21 ' A' ' 19' ' ' THR . 11.3 mt -54.16 170.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 79' ' ' ASP . 3.3 mptt -135.52 116.02 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 109' ' ' SER . 22.8 m -72.54 -44.07 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 108' ' ' VAL . 10.2 t -125.03 152.08 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.09 -131.94 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.73 45.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.5 t -63.69 -175.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' SER . 2.0 m 36.22 41.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.419 0.455 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.816 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 29' ' ' VAL . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.535 ' HA ' HG12 ' A' ' 27' ' ' VAL . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 28' ' ' ILE . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HD13 ' HG3' ' A' ' 72' ' ' GLN . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 17' ' ' VAL . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.806 ' CH2' HD13 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.765 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.522 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.522 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.806 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' HD23 ' A' ' 46' ' ' LEU . 78.3 t60 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HG3' HD13 ' A' ' 28' ' ' ILE . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.549 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.816 HG23 ' CG ' ' A' ' 12' ' ' PRO . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.7 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HD3' HD11 ' A' ' 45' ' ' ILE . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HE2' ' A' ' 92' ' ' LYS . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.437 0.465 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 29' ' ' VAL . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.637 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 17' ' ' VAL . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.774 ' CH2' HD13 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.75 HG21 ' CE1' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.75 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.415 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.774 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 67.7 t60 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 78' ' ' LEU . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.714 ' CD2' HG21 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.415 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.791 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 45' ' ' ILE . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ALA . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.631 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 121.425 0.458 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 101' ' ' ILE . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 29' ' ' VAL . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.592 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 19' ' ' THR . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 17' ' ' VAL . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.729 ' CH2' HD13 ' A' ' 64' ' ' ILE . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 ' CE1' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.729 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.433 ' CD2' HD23 ' A' ' 46' ' ' LEU . 73.5 t60 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HG3' HD13 ' A' ' 28' ' ' ILE . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' C ' HD22 ' A' ' 78' ' ' LEU . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.789 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.707 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 45' ' ' ILE . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.707 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.452 HD12 ' HG ' ' A' ' 15' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.4 0.444 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 29' ' ' VAL . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' THR . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.767 ' CH2' HD13 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.693 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.767 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.497 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.562 HG23 ' HG2' ' A' ' 12' ' ' PRO . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ALA . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.627 HD12 ' HG ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.468 0.482 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HG2' HG23 ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.797 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.577 ' HA ' HG12 ' A' ' 27' ' ' VAL . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.614 HH11 HD11 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 19' ' ' THR . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD11 HH11 ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 17' ' ' VAL . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.72 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 64.6 t60 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 28' ' ' ILE . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.762 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD3' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.452 0.473 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 30' ' ' SER . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.956 HG21 ' CD2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' HG12 ' A' ' 27' ' ' VAL . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.962 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.962 HD11 ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 17' ' ' VAL . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 15' ' ' LEU . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' CE1' ' A' ' 44' ' ' TYR . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.685 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HB ' ' A' ' 86' ' ' ILE . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 50' ' ' LEU . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.883 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 78' ' ' LEU . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.956 ' CD2' HG21 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.499 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.441 0.467 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 29' ' ' VAL . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.845 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HD11 ' A' ' 78' ' ' LEU . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.845 HD11 ' CD ' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 17' ' ' VAL . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.726 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 66.1 m-20 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.73 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.429 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.726 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 46' ' ' LEU . 79.7 t60 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 76' ' ' LEU . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' C ' HD12 ' A' ' 78' ' ' LEU . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.662 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.8 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD3' HD11 ' A' ' 45' ' ' ILE . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 24' ' ' PRO . 10.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 121.447 0.47 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.855 HG21 ' CD2' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 72' ' ' GLN . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 17' ' ' VAL . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.84 ' N ' HD12 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.645 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.533 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 72.1 t60 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 28' ' ' ILE . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.48 ' C ' HD22 ' A' ' 78' ' ' LEU . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.855 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.555 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.756 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 121.455 0.475 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.813 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HE3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 30' ' ' SER . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 29' ' ' VAL . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HD2' HD11 ' A' ' 28' ' ' ILE . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CG ' HD11 ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' HD2' ' A' ' 20' ' ' ARG . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 17' ' ' VAL . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.525 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 ' CE1' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.774 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.588 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 47' ' ' PHE . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.664 ' H ' HD12 ' A' ' 46' ' ' LEU . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.689 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.651 ' CD2' HD23 ' A' ' 46' ' ' LEU . 70.9 t60 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 76' ' ' LEU . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 73' ' ' ILE . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.593 HD11 ' CG ' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.707 ' CD2' HG21 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.813 HG23 ' CG ' ' A' ' 12' ' ' PRO . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.605 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.0 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HD3' HD11 ' A' ' 45' ' ' ILE . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 90' ' ' ASN . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 27' ' ' VAL . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 121.412 0.451 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 30' ' ' SER . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 29' ' ' VAL . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.495 HH11 HD11 ' A' ' 28' ' ' ILE . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 78' ' ' LEU . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 HH11 ' A' ' 20' ' ' ARG . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 17' ' ' VAL . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.814 ' CH2' HD13 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' OH ' HG21 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 58' ' ' ASP . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.735 ' HB3' HD12 ' A' ' 54' ' ' ILE . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.584 HG21 ' OH ' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.814 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.674 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.752 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.448 0.471 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.873 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.685 ' HA ' HG12 ' A' ' 27' ' ' VAL . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HG2' HD21 ' A' ' 78' ' ' LEU . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 19' ' ' THR . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 17' ' ' VAL . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.676 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD12 ' HB ' ' A' ' 86' ' ' ILE . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 45' ' ' ILE . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.465 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 97' ' ' LEU . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.676 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.9 t60 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.873 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.727 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.2 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 88' ' ' ALA . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 56' ' ' ILE . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 121.388 0.438 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.855 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 29' ' ' VAL . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' THR . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.989 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 20' ' ' ARG . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 19' ' ' THR . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.989 HD11 ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 17' ' ' VAL . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.738 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.743 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 41' ' ' ILE . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.687 ' N ' HD12 ' A' ' 50' ' ' LEU . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.738 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' HD23 ' A' ' 46' ' ' LEU . 71.5 t60 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.418 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.846 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 9.5 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 121.435 0.464 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.774 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 29' ' ' VAL . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.934 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.934 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 17' ' ' VAL . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 71' ' ' HIS . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.596 HG21 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.879 HD23 ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 58' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.442 HD13 ' HD3' ' A' ' 85' ' ' ARG . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB3' HD12 ' A' ' 54' ' ' ILE . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.887 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.454 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.6 t60 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.879 ' CE1' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.655 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HD3' HD13 ' A' ' 56' ' ' ILE . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.774 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.482 HD12 ' HG ' ' A' ' 15' ' ' LEU . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.471 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 98' ' ' SER . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 28' ' ' ILE . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 78' ' ' LEU . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.561 HD13 ' HG3' ' A' ' 72' ' ' GLN . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG22 ' A' ' 17' ' ' VAL . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' CE1' ' A' ' 44' ' ' TYR . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 41' ' ' ILE . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 41' ' ' ILE . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 45' ' ' ILE . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' TYR . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.418 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.657 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 61.7 t60 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 28' ' ' ILE . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG21 ' A' ' 105' ' ' THR . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.866 HD11 ' HG3' ' A' ' 25' ' ' ARG . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.422 ' SD ' HD23 ' A' ' 102' ' ' LEU . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.761 HG23 ' CG ' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.465 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 15' ' ' LEU . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' SD ' ' A' ' 81' ' ' MET . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' ASN . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.452 0.473 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.735 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HG3' HD21 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 72' ' ' GLN . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 17' ' ' VAL . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.754 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD3' HD11 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.687 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.687 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD23 ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 50' ' ' LEU . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.462 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.754 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 76' ' ' LEU . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.496 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.67 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.735 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.746 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 19' ' ' THR . 10.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 121.506 0.503 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.763 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.918 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' A' ' 78' ' ' LEU . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.918 HD11 ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 17' ' ' VAL . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.662 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HE2' HG22 ' A' ' 42' ' ' THR . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 40' ' ' LYS . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.834 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 45' ' ' ILE . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.62 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.453 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.665 HG22 ' OE1' ' A' ' 62' ' ' GLU . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' OE1' HG22 ' A' ' 60' ' ' ILE . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.523 ' CD2' HD23 ' A' ' 46' ' ' LEU . 80.9 t60 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG3' HD13 ' A' ' 28' ' ' ILE . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 76' ' ' LEU . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.763 HG23 ' CG ' ' A' ' 12' ' ' PRO . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HB2' HG23 ' A' ' 94' ' ' VAL . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 89' ' ' ARG . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HG ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 121.414 0.452 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 88' ' ' ALA . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.852 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.852 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.79 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' HD12 ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.943 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 17' ' ' VAL . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.703 ' CH2' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.629 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 86' ' ' ILE . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.707 ' N ' HD12 ' A' ' 50' ' ' LEU . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 78.5 t60 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' C ' HD12 ' A' ' 78' ' ' LEU . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.792 ' CD2' HG21 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 2.9 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HG ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 121.467 0.482 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 29' ' ' VAL . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.855 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 19' ' ' THR . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.855 HD11 ' CD ' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 17' ' ' VAL . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.764 ' CH2' HD13 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 70.1 m-80 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 71' ' ' HIS . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.591 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.429 HG12 HD11 ' A' ' 97' ' ' LEU . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.414 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.764 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CD2' HD23 ' A' ' 46' ' ' LEU . 81.4 t60 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG3' HD13 ' A' ' 28' ' ' ILE . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' CD2' ' A' ' 71' ' ' HIS . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 78' ' ' LEU . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.665 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.745 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 121.458 0.477 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 30' ' ' SER . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 29' ' ' VAL . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.923 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 ' CD ' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 17' ' ' VAL . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 15' ' ' LEU . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.571 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.48 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.48 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.827 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.646 ' CD2' HD23 ' A' ' 46' ' ' LEU . 77.6 t60 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.674 ' C ' HD22 ' A' ' 78' ' ' LEU . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 77' ' ' ASN . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 17' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CB ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.3 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 121.419 0.455 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 17' ' ' VAL . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CD2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.644 HG21 ' HG ' ' A' ' 106' ' ' LEU . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' HD11 ' A' ' 28' ' ' ILE . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 17' ' ' VAL . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 64' ' ' ILE . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.894 HG21 ' CE1' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' HH11 ' A' ' 89' ' ' ARG . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.894 ' CE1' HG21 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.543 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.603 HG21 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 50' ' ' LEU . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 51' ' ' ASP . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.524 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CE2' HG21 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.697 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.2 t60 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' C ' HD22 ' A' ' 78' ' ' LEU . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.843 ' CD2' HG21 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.644 ' HG ' HG21 ' A' ' 19' ' ' THR . 11.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -98.99 80.67 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -99.55 40.87 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.85 46.46 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -86.34 96.34 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -104.32 -60.16 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.29 171.09 28.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.3 Cg_endo -69.77 149.45 66.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.4 p -119.15 26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -148.43 148.29 30.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -91.48 159.08 39.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.816 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.5 Cg_endo -69.81 167.36 24.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 pttt -126.65 -175.2 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' OE1' ' A' ' 32' ' ' GLN . 14.4 t0 58.84 25.41 13.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 25.7 tp -69.27 97.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.1 m -121.2 142.67 49.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 29' ' ' VAL . 60.9 t -123.54 120.08 59.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.0 pt -128.46 140.16 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.535 ' HA ' HG12 ' A' ' 27' ' ' VAL . 15.2 t -73.43 124.77 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' CG ' HD11 ' A' ' 28' ' ' ILE . 19.3 mtp180 -51.98 152.97 2.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -82.34 -27.65 32.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.16 -22.88 46.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -147.46 127.76 6.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.57 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.361 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -61.49 -10.05 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.36 145.27 27.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.2 m -143.77 146.0 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HD13 ' HG3' ' A' ' 72' ' ' GLN . 6.9 mm -106.52 99.36 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG22 HG22 ' A' ' 17' ' ' VAL . 61.9 t -85.66 104.37 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.3 p -98.72 147.38 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.806 ' CH2' HD13 ' A' ' 64' ' ' ILE . 48.1 p90 -149.35 178.74 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.75 157.19 78.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.714 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 137.71 36.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.519 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.75 167.55 24.1 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.77 -43.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ASN . 10.2 mt-10 -83.65 18.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -42.29 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' GLU . 87.9 m-20 54.44 36.17 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 129.5 131.6 3.38 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -33.79 137.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.765 HG21 ' CE1' ' A' ' 44' ' ' TYR . 34.1 mm -79.71 130.75 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.7 p -99.06 -23.24 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.01 148.16 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.765 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.7 m-85 -123.44 119.26 29.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.5 mp -101.05 117.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.2 tp -104.41 147.35 27.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -131.66 135.26 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.02 143.53 30.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.522 HG21 ' CE2' ' A' ' 59' ' ' TRP . 8.9 t -165.36 144.75 6.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.5 pt? -76.58 -24.45 53.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -112.23 126.95 55.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.8 pttt -94.57 -20.36 19.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -52.08 -21.98 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.11 155.67 49.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.1 Cg_endo -69.83 137.89 36.32 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.649 2.233 . . . . 0.0 112.31 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -38.23 -26.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -68.64 -49.73 56.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.6 t0 -59.11 -23.88 62.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.522 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.3 m0 -57.82 172.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 18.8 mt -93.59 100.52 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.01 140.47 35.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -133.74 124.83 27.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.4 m -82.01 138.13 34.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.806 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.6 mt -133.63 151.4 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -71.76 124.87 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.49 -29.81 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.32 -34.25 77.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtt-85 -92.03 151.3 20.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.535 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 14.7 mt -123.0 18.3 10.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 4.4 p -136.65 161.55 35.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.579 ' CD2' HD23 ' A' ' 46' ' ' LEU . 78.3 t60 -148.04 130.23 15.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.559 ' HG3' HD13 ' A' ' 28' ' ' ILE . 12.9 tt0 -103.5 124.25 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -102.78 143.03 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtm -127.21 152.06 47.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 72.76 52.64 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -103.06 147.01 27.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.549 ' C ' HD22 ' A' ' 78' ' ' LEU . 31.4 m-20 -63.97 161.6 15.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 1.3 mm? -107.77 133.59 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.8 t0 62.01 45.56 7.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.2 m -140.25 124.42 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.8 tpt -56.94 129.73 42.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.7 m-85 -126.79 119.81 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 17.2 m-85 -80.37 150.03 30.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 17' ' ' VAL . 78.3 m-85 -128.81 137.79 51.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -154.59 107.86 2.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.816 HG23 ' CG ' ' A' ' 12' ' ' PRO . 18.8 tt -113.39 162.19 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.7 pt20 -147.48 174.81 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -112.19 143.87 42.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HD3' HD11 ' A' ' 45' ' ' ILE . 31.0 ttt180 -137.78 129.39 28.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.489 ' ND2' ' HE2' ' A' ' 92' ' ' LYS . 14.1 p30 -114.83 170.06 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 70.3 m -41.77 -24.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' HE2' ' ND2' ' A' ' 90' ' ' ASN . 18.0 mtmm -81.59 -71.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -161.91 -159.62 10.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.538 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.3 p -126.28 145.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.86 -155.99 29.92 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.542 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.42 1.87 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 mp -116.22 169.74 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -85.29 166.31 16.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -61.11 146.43 88.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.544 0.687 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 106.1 1.6 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.667 2.244 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 33.1 mt -79.7 136.44 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.74 103.41 15.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -132.98 113.58 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -78.01 149.27 34.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -89.4 147.79 23.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt -46.65 167.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.15 103.05 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 109' ' ' SER . 27.6 m -75.86 -45.29 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 108' ' ' VAL . 19.4 m -99.35 88.61 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.75 145.38 15.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.68 3.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 t 74.51 48.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -63.93 -52.05 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 p -80.33 91.08 5.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -155.08 109.12 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.79 -43.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -39.49 124.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -127.17 -36.76 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.85 167.92 33.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 139.08 39.42 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.9 p -105.61 22.98 14.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.1 t -152.13 146.37 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.825 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -90.26 168.45 14.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.76 165.46 30.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.5 pttt -128.16 -174.98 3.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.5 t0 55.61 30.71 15.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 36.0 tp -73.26 102.9 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m -125.93 139.96 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 29' ' ' VAL . 77.2 t -121.32 128.04 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -134.29 145.53 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.637 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.7 t -76.5 127.38 32.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -55.7 152.49 9.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -84.0 -22.02 31.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.09 -17.29 44.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -155.36 127.74 4.02 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.72 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -59.72 -11.82 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.95 143.97 31.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.4 m -140.88 159.21 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.2 mm -112.1 99.0 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.858 HG22 HG22 ' A' ' 17' ' ' VAL . 58.7 t -86.72 100.75 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 166.97 11.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.774 ' CH2' HD13 ' A' ' 64' ' ' ILE . 37.1 p90 -171.55 177.62 3.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.4 160.56 65.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.64 40.82 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 147.17 62.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.721 2.281 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.9 mm? -69.73 -44.8 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -87.25 44.62 1.19 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.34 -3.4 20.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 41.23 29.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.83 -141.21 8.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -120.9 115.27 22.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.729 0.3 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.75 HG21 ' CE1' ' A' ' 44' ' ' TYR . 10.0 mm -53.41 140.27 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -114.36 -18.32 11.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.08 141.02 17.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.75 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.6 m-85 -118.74 118.7 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.655 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.1 mp -102.28 123.68 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.166 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -110.19 147.87 32.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 2.2 m-85 -132.85 129.23 38.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -137.24 141.51 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 t -163.5 153.33 15.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -90.97 -9.5 45.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.614 ' N ' HD12 ' A' ' 50' ' ' LEU . 34.9 m-20 -124.22 117.49 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 22.0 pttt -86.18 -25.34 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -48.56 -22.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 pt -91.48 155.26 44.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.627 0.727 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.73 139.54 40.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -39.89 -25.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 t0 -69.22 -47.23 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.4 t70 -62.24 -24.36 67.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.415 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.1 m0 -57.58 -179.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.4 mt -99.6 101.5 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.2 ttp -80.7 148.18 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' MET . 31.2 mm-40 -142.23 123.39 14.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.1 m -82.2 132.16 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.774 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -128.57 152.6 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -66.71 135.06 53.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.52 -9.23 11.7 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -87.65 -43.49 11.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -77.62 152.16 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 28.0 mt -121.74 15.17 10.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.7 p -135.4 156.58 48.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.532 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 67.7 t60 -144.48 125.21 14.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -99.21 129.76 45.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 40.0 mt -107.41 150.34 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 41.9 mtm -133.98 154.89 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 t70 70.99 49.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 78' ' ' LEU . 81.8 m-20 -54.38 164.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.3 mm? -104.62 142.55 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 46.69 42.65 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.3 m -129.34 138.22 51.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 tpp -73.02 130.22 39.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.4 m-85 -126.56 123.35 37.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 11.5 m-85 -82.42 136.14 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.714 ' CD2' HG21 ' A' ' 17' ' ' VAL . 69.7 m-85 -112.04 132.15 54.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.415 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 34.6 mtt180 -148.26 108.49 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.791 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.5 tt -113.82 163.18 11.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.631 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.2 pt20 -142.93 -178.07 5.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.82 141.72 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.655 ' HD3' HD11 ' A' ' 45' ' ' ILE . 25.7 ttt180 -141.25 125.52 17.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 27.8 p30 -120.29 169.57 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.3 p -38.62 -31.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -72.73 -69.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.98 -149.28 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.516 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ALA . 7.5 p -131.72 137.49 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.99 -162.46 38.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -163.22 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.631 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -118.91 -176.46 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -110.03 170.89 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.24 141.82 97.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.21 3.02 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 86.8 mt -82.96 140.24 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.51 101.45 12.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -126.89 114.12 17.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -85.11 125.05 32.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.62 163.91 8.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.55 -174.76 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 132.19 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.421 HG13 ' CD1' ' A' ' 78' ' ' LEU . 3.3 m -77.6 67.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.2 p -62.22 -46.82 87.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.77 158.91 23.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -96.55 99.61 11.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.8 t -95.84 -59.12 1.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.443 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -77.58 127.84 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -136.08 115.45 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -70.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 m -86.34 111.07 20.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -139.06 105.78 5.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.15 -170.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.74 142.67 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.751 2.3 . . . . 0.0 112.297 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -103.04 15.02 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -143.16 162.56 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -103.99 168.5 8.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.76 161.43 45.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.04 -174.86 3.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.89 31.52 17.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 101' ' ' ILE . 40.7 tp -72.69 107.3 5.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.6 m -132.34 145.41 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 29' ' ' VAL . 88.8 t -126.07 119.57 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.59 142.5 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.592 ' HA ' HG12 ' A' ' 27' ' ' VAL . 14.9 t -75.89 128.5 35.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD11 ' A' ' 28' ' ' ILE . 24.5 mtp180 -56.73 154.82 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.0 28.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.0 -19.24 51.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -153.13 128.42 4.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.547 0.689 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 78' ' ' LEU . 71.5 mtt85 -59.75 -13.02 8.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.07 141.9 31.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 19' ' ' THR . 35.3 m -140.46 155.02 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 20' ' ' ARG . 7.7 mm -112.13 99.12 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 17' ' ' VAL . 44.4 t -84.53 110.35 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.1 p -101.01 170.19 8.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.729 ' CH2' HD13 ' A' ' 64' ' ' ILE . 36.1 p90 -175.09 175.94 2.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.3 157.27 77.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.81 41.38 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.395 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.1 Cg_endo -69.77 151.31 69.0 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 0.0 112.371 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.4 mm? -71.76 -48.13 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -84.34 32.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . . . -53.54 -21.35 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 49.75 25.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 148.98 119.47 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 28.1 tttp -34.98 109.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.852 HG21 ' CE1' ' A' ' 44' ' ' TYR . 9.1 mm -45.37 136.14 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 47.0 p -110.62 -21.69 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.43 132.13 14.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 41' ' ' ILE . 50.0 m-85 -111.09 119.02 37.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -102.04 118.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.16 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 11.6 tp -103.63 150.05 24.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.624 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.5 m-85 -136.58 136.97 39.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 54.6 p90 -146.85 145.96 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.83 150.62 8.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.17 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.9 pt? -82.6 -15.1 53.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.1 123.68 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 54' ' ' ILE . 14.2 ptmt -88.37 -28.78 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -41.8 -25.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 52' ' ' LYS . 12.0 pt -87.55 155.81 53.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.627 0.727 . . . . 0.0 111.178 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.9 Cg_endo -69.74 139.57 40.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.377 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 97' ' ' LEU . 9.7 tp -38.94 -25.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.1 m-20 -68.11 -50.59 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.05 -24.06 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 13.9 m0 -58.07 179.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 4.9 mp -100.1 100.82 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.617 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.5 ttp -80.55 147.82 30.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 22.3 mm-40 -142.48 120.91 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.1 m -79.83 135.17 36.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.729 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -132.03 147.98 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -64.41 131.28 46.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.81 -10.34 6.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -83.42 -35.38 25.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -90.06 151.33 21.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 26.5 mt -120.22 15.41 12.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 8.1 p -136.3 159.1 42.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.433 ' CD2' HD23 ' A' ' 46' ' ' LEU . 73.5 t60 -146.34 126.88 14.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' HG3' HD13 ' A' ' 28' ' ' ILE . 35.2 tt0 -99.7 128.9 45.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.49 147.09 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.8 mtt -133.96 156.61 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 72.28 52.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -106.58 155.08 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' C ' HD22 ' A' ' 78' ' ' LEU . 56.4 m-20 -71.12 162.16 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.2 mm? -105.24 149.92 25.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 46.2 46.07 13.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.3 m -137.6 144.39 41.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -76.94 132.38 39.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -130.97 118.36 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -80.58 143.16 33.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.615 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.9 m-85 -119.76 136.94 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.567 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.1 mtt180 -154.06 115.01 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.789 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -120.56 164.48 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.707 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.0 pt20 -144.03 177.24 8.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.78 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 45' ' ' ILE . 36.9 ttt180 -135.13 127.03 29.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 21.4 p30 -116.31 168.68 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.3 p -39.93 -29.84 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -73.32 -64.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -167.9 -150.04 6.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.7 140.24 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.04 -162.24 37.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.437 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.2 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.707 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.4 mt -121.75 -178.42 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.78 172.84 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -69.54 143.58 93.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 113.61 3.44 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.291 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.452 HD12 ' HG ' ' A' ' 15' ' ' LEU . 22.9 mt -86.06 135.73 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.51 113.19 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -140.66 114.6 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -85.26 121.53 28.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 48.2 p -59.28 152.97 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.1 mt -49.87 165.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 111.95 14.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.65 140.32 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.9 m -110.35 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 111.83 164.37 17.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.87 38.84 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -63.48 -12.23 30.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.7 t -74.94 116.04 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -47.8 82.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 m -75.06 166.14 24.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -114.51 0.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -61.7 122.84 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -125.64 100.63 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.47 -174.08 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.78 146.73 60.98 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.2 p -108.3 20.89 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 t -150.31 143.86 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.797 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.17 167.59 20.91 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.77 169.16 19.58 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -128.96 -174.88 3.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 52.67 37.7 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.627 ' HG ' HD12 ' A' ' 101' ' ' ILE . 60.5 tp -79.27 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' VAL . 38.2 m -123.32 155.09 37.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 29' ' ' VAL . 89.4 t -136.48 126.5 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 pt -131.95 143.55 39.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 19' ' ' THR . 8.5 t -75.63 124.64 27.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -58.11 135.72 57.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.85 -28.75 65.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.48 60.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -148.88 128.09 6.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.727 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HG3' HG21 ' A' ' 108' ' ' VAL . 53.5 Cg_endo -69.74 -31.86 19.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -79.91 11.88 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.44 149.75 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -144.1 146.19 20.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 mm -106.25 98.92 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 HG22 ' A' ' 17' ' ' VAL . 43.2 t -87.86 110.3 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.9 p -102.83 168.45 9.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.767 ' CH2' HD13 ' A' ' 64' ' ' ILE . 45.6 p90 -170.36 176.09 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 31' ' ' TRP . 1.2 mp0 -129.61 158.7 72.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 137.35 35.43 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 157.11 61.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.663 2.242 . . . . 0.0 112.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.7 mm? -77.51 -45.0 26.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.95 40.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -66.36 -6.43 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ALA . 78.0 m-20 35.52 48.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.13 -156.76 23.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttm -110.7 114.29 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.711 0.291 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.693 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 28.6 mm -52.52 136.81 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 p -110.51 -18.33 13.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.46 157.05 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.693 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 66.3 m-85 -129.45 119.24 23.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.593 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.54 118.91 49.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.465 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.3 tp -105.51 149.62 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.4 m-85 -134.51 134.92 41.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -143.49 143.98 31.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.9 t -168.73 146.35 3.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 4.1 pp -82.9 -14.37 54.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -118.35 114.49 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -84.16 -29.59 26.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -41.54 -35.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 pt -76.54 155.19 83.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.597 0.713 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.4 Cg_endo -69.8 138.85 38.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 tp -39.8 -27.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' PRO . 31.5 m-20 -68.32 -44.21 75.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -65.12 -25.8 67.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.512 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.9 m0 -54.2 176.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.5 mt -95.36 101.51 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.596 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 4.8 ttp -80.87 145.92 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.9 mm-40 -139.47 124.63 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.4 m -83.68 136.57 34.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.767 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -133.56 151.16 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -63.83 134.18 54.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.94 -8.47 8.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -88.65 -45.44 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -76.82 151.48 35.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 21.4 mt -120.79 17.37 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 21.8 p -135.56 161.31 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.2 t60 -146.72 126.2 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -100.33 130.96 46.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 48.5 mt -112.95 147.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.7 mtt -131.14 161.02 33.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.8 t0 62.21 51.92 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.2 mt -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.04 136.21 55.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.402 HD23 ' H ' ' A' ' 108' ' ' VAL . 5.0 mp -93.01 142.87 26.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 t70 64.61 40.69 5.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.3 m -142.01 136.99 30.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 tpt -70.53 125.3 26.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.4 m-85 -123.56 123.32 40.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.95 143.15 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.497 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 87.9 m-85 -118.66 140.78 49.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.512 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.9 mtt180 -155.81 105.36 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.562 HG23 ' HG2' ' A' ' 12' ' ' PRO . 12.1 tt -115.34 158.29 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.5 pt20 -141.14 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -120.62 140.46 51.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -133.61 125.78 29.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 32.0 p30 -114.7 168.93 9.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' ASN . 56.4 p -37.93 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' ASN . 30.1 mttt -73.82 -69.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.26 -157.13 9.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 88' ' ' ALA . 13.5 p -123.57 139.71 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 111.161 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.49 -157.59 33.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -170.0 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.28 160.68 28.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.62 164.44 23.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -60.73 149.73 78.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.2 Cg_endo -69.72 122.33 9.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.354 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.627 HD12 ' HG ' ' A' ' 15' ' ' LEU . 40.6 mt -93.88 134.83 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mp -95.44 104.74 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -129.72 113.87 15.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -85.23 118.95 25.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 42.6 p -59.42 171.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.9 171.13 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -123.99 106.48 10.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HG3' ' A' ' 24' ' ' PRO . 57.6 t -112.46 87.58 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.3 m -136.75 133.97 36.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.44 161.37 27.14 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 86.82 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.3 p -84.47 42.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.0 t -117.25 117.13 28.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -91.84 89.51 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -157.32 120.39 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 -49.93 0.8 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -92.37 110.26 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.891 0.377 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -130.02 98.28 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.51 -166.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 148.82 65.77 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.9 p -118.58 23.56 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 p -142.95 143.19 31.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -84.75 157.5 60.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.553 0.692 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.762 ' HG2' HG23 ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.81 161.33 46.34 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -121.03 -175.1 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 59.28 25.33 13.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 tp -69.84 98.26 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 m -126.89 134.86 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.797 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 57.5 t -117.92 118.94 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.7 pt -127.45 142.69 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.577 ' HA ' HG12 ' A' ' 27' ' ' VAL . 8.9 t -74.34 129.48 37.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.614 HH11 HD11 ' A' ' 28' ' ' ILE . 19.7 mtp85 -56.38 149.66 16.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -77.35 -30.1 53.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -84.21 -22.89 53.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 51.0 mttp -150.64 129.06 6.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.639 2.226 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -56.65 -16.18 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.11 149.07 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 19' ' ' THR . 31.2 m -146.91 156.16 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD11 HH11 ' A' ' 20' ' ' ARG . 10.8 mm -114.08 95.38 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 17' ' ' VAL . 75.1 t -79.89 101.74 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.2 p -92.78 167.92 11.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.9 p90 -174.76 -177.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -142.41 158.61 60.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.721 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.67 31.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.321 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.77 170.94 15.41 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.99 -43.65 10.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -84.41 30.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -57.36 -14.77 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 52.83 44.33 30.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.07 -150.92 21.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -113.31 109.03 18.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.836 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 32.0 mm -46.5 138.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 p -116.66 -25.08 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.95 146.77 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 41.6 m-85 -120.47 119.48 33.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -102.11 117.13 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.2 tp -104.65 146.22 29.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.1 m-85 -130.93 133.84 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -143.4 145.56 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -163.84 157.63 19.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.72 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.5 pt? -91.17 -17.83 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.51 118.49 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 35.8 pttt -83.48 -16.72 44.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -51.29 -35.64 38.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.49 155.32 78.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.71 138.96 39.21 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.8 -26.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . 71.6 m-20 -68.59 -45.86 70.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.1 t70 -63.18 -24.85 68.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.407 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.9 m0 -56.63 174.47 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -93.85 100.97 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.2 ttp -81.38 136.24 35.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.88 126.01 38.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 m -83.86 136.36 34.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -132.07 149.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 m -63.98 129.54 40.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -51.98 -26.26 18.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -42.66 64.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -74.28 151.98 39.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 60.9 mt -124.94 17.98 8.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.601 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 3.0 p -140.05 160.89 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 64.6 t60 -148.18 126.81 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.568 ' HG3' HD13 ' A' ' 28' ' ' ILE . 11.1 tt0 -100.28 135.22 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.9 mt -114.5 148.17 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 34.4 mtm -132.41 154.52 49.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.1 t70 73.25 51.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.1 mt -101.67 153.4 19.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -66.27 162.64 19.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 4.1 mm? -105.74 145.52 31.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.7 p30 49.67 31.8 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -124.96 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 104' ' ' ARG . 31.9 tpp -81.03 142.75 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.7 m-85 -135.51 118.2 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 52' ' ' LYS . 9.6 m-85 -79.47 137.6 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 74.5 m-85 -114.04 137.28 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -151.66 107.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.762 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.9 tt -116.46 161.99 14.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.02 -175.14 4.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.63 138.54 54.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD3' HD11 ' A' ' 45' ' ' ILE . 48.2 ttt85 -133.98 124.58 26.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' SER . 25.0 p30 -114.13 170.04 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' ASN . 23.2 t -38.17 -32.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -72.99 -69.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.61 -155.71 8.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -123.29 148.04 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.868 0.366 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.494 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -103.47 -159.59 24.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 177.99 5.02 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -114.75 168.64 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -85.18 170.6 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -64.77 147.07 98.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.597 0.713 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.71 2.88 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.55 134.69 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.28 99.96 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -122.11 108.37 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.432 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 5.8 ttm180 -84.77 121.51 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.0 p -56.15 171.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.45 179.81 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.25 104.1 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.7 t -141.92 134.63 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.3 p -119.78 -57.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.85 156.02 24.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.22 46.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.4 t -77.61 158.55 29.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 m -121.59 153.02 38.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 t 61.27 39.67 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.51 150.55 21.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.72 86.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -95.74 97.9 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -115.26 110.27 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.98 -165.84 24.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.76 146.1 59.16 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.2 p -107.55 5.44 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -137.28 147.63 45.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -87.73 168.79 15.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.099 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.76 170.45 16.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 2.0 ptpt -129.74 -175.47 3.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t0 54.35 30.88 13.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 30' ' ' SER . 51.8 tp -75.03 106.61 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.1 m -128.71 143.38 50.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.956 HG21 ' CD2' ' A' ' 84' ' ' PHE . 91.9 t -118.9 114.74 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.3 pt -117.17 140.68 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' HG12 ' A' ' 27' ' ' VAL . 12.5 t -78.45 138.75 38.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.962 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.3 tpt85 -57.62 161.81 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -77.67 -53.02 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.39 22.73 37.82 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -155.0 105.01 2.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -38.95 7.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -76.02 -3.66 36.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.91 144.84 30.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.2 m -147.11 139.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.962 HD11 ' HD2' ' A' ' 20' ' ' ARG . 3.0 mm -99.78 97.74 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG22 HG22 ' A' ' 17' ' ' VAL . 57.8 t -83.1 107.74 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.177 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 15' ' ' LEU . 92.0 p -100.45 171.38 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.0 p90 -175.12 176.37 2.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -129.52 160.17 65.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 138.82 39.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.405 ' HG3' ' CB ' ' A' ' 88' ' ' ALA . 54.0 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.631 2.221 . . . . 0.0 112.363 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -84.02 -40.36 18.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -91.13 41.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.11 -18.7 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 54.31 38.78 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.87 -119.61 1.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -143.92 115.98 8.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.685 HG21 ' CE1' ' A' ' 44' ' ' TYR . 25.4 mm -57.44 135.86 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.1 p -121.51 -10.19 8.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.83 134.34 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.685 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -112.06 119.57 38.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 45' ' ' ILE . 3.0 mp -102.74 121.38 53.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD13 ' HB ' ' A' ' 86' ' ' ILE . 22.0 tp -105.62 149.3 26.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 5.7 m-85 -134.21 124.84 26.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -137.92 141.25 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 t -158.48 164.56 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 50' ' ' LEU . 2.1 pt? -95.98 -20.65 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -123.52 122.81 39.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 17.1 ptpt -86.07 -25.46 25.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -44.16 -22.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.416 ' N ' ' C ' ' A' ' 52' ' ' LYS . 11.4 pt -91.96 155.87 42.83 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.551 0.691 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.8 138.02 36.73 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.361 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.24 -26.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 35.0 t0 -67.6 -46.75 71.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t0 -63.08 -24.57 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.7 m0 -56.7 174.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.3 mt -96.32 101.04 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.613 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.9 ttp -80.7 149.43 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.8 mm-40 -142.22 121.8 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 m -79.37 137.55 37.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.883 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -133.35 145.21 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -57.37 133.98 55.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.67 -9.42 18.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.05 -26.21 19.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -93.92 149.39 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 29.6 mt -119.15 12.34 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.2 p -133.97 160.65 37.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -147.9 135.51 20.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -103.41 131.69 50.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 72.0 mt -112.13 145.14 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 46.8 mtm -134.09 163.49 29.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 64.23 51.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.6 mt -106.58 151.91 24.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 78' ' ' LEU . 74.2 m-20 -61.15 172.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.6 mm? -111.64 148.05 34.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 40.78 44.67 1.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -129.46 148.06 51.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 51.2 tpp -81.57 128.11 33.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.883 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.445 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.3 m-85 -124.83 119.44 28.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 6.3 m-85 -79.67 135.66 36.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.956 ' CD2' HG21 ' A' ' 17' ' ' VAL . 74.4 m-85 -112.76 139.14 48.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 30.1 mtt180 -154.22 107.6 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.4 tt -115.85 161.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.7 pt20 -144.28 -178.51 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.49 138.02 54.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -133.11 134.89 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.463 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.6 p30 -121.47 167.47 12.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 46.6 t -38.48 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' ASN . 23.9 mmtm -73.97 -70.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -162.97 -158.23 9.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.98 143.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.499 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.24 -161.05 31.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -168.93 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mp -127.14 163.12 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -80.27 172.46 13.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -68.58 149.57 97.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 116.02 4.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 16.7 mt -89.58 134.1 29.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mp -95.44 104.33 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -131.34 117.26 18.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -86.76 130.17 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.2 p -68.08 158.09 33.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.5 mt -53.72 -179.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.54 139.17 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.6 m -116.62 -21.03 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.1 t 52.36 47.16 25.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.28 135.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.6 t -86.57 116.2 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -78.36 105.01 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.474 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -47.91 -49.68 29.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.862 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -64.36 154.66 34.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.37 -44.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.536 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -83.51 98.9 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.373 . . . . 0.0 110.865 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -112.69 125.18 54.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.98 -166.43 17.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.74 152.03 69.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -110.35 0.74 18.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -124.58 176.81 6.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.82 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -118.47 167.94 10.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.82 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.6 Cg_endo -69.73 168.61 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.737 2.291 . . . . 0.0 112.306 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLN . 0.4 OUTLIER -128.63 -178.17 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 59.25 26.27 15.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.3 tp -70.07 105.72 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.5 m -132.34 137.73 47.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 29' ' ' VAL . 86.9 t -117.33 117.72 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.0 pt -124.78 144.1 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -76.71 132.57 39.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.845 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -53.29 133.95 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -69.5 -4.34 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.36 -5.25 6.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 2.5 mmmp? -146.8 118.91 4.82 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.575 0.702 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 106' ' ' LEU . 53.9 Cg_endo -69.78 -39.63 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' HD11 ' A' ' 78' ' ' LEU . 9.2 mtt180 -81.55 5.2 18.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -113.25 139.18 49.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.7 m -139.35 138.56 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.845 HD11 ' CD ' ' A' ' 20' ' ' ARG . 9.9 mm -99.54 99.55 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG22 HG22 ' A' ' 17' ' ' VAL . 47.5 t -87.28 104.42 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -97.2 171.89 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.726 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.5 p90 -174.65 -175.1 0.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 13' ' ' LYS . 3.3 mm-40 -139.82 162.62 49.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.3 Cg_endo -69.86 137.91 36.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' HG2' ' HB2' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 156.28 63.71 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.9 mm? -70.64 -58.03 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.45 56.77 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.5 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -69.47 -1.27 8.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' ALA . 66.1 m-20 36.49 41.88 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.74 127.5 3.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -34.14 137.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 33.5 mm -77.76 132.75 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.7 p -110.34 -11.99 14.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.66 148.5 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 54.3 m-85 -124.39 120.1 31.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.601 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.57 121.54 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.468 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.9 tp -108.1 144.16 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.2 m-85 -128.39 131.32 48.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -141.88 151.02 42.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -167.65 158.92 11.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.73 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.4 pt? -90.12 -19.6 24.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.25 129.7 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.9 pttp -90.35 -30.67 17.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 52' ' ' LYS . 6.8 m120 -38.22 -28.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' LYS . 12.4 pt -85.34 155.76 59.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.1 Cg_endo -69.73 138.3 37.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -38.52 -26.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 m-20 -68.69 -50.04 54.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -58.59 -24.28 60.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.429 ' CE2' HG21 ' A' ' 49' ' ' THR . 14.4 m0 -57.45 174.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.7 mt -94.81 105.9 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.601 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.6 ttp -86.35 143.78 27.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' N ' ' HG2' ' A' ' 61' ' ' MET . 17.9 mm-40 -135.59 128.37 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.7 m -87.19 133.25 33.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.726 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.2 mt -128.89 153.96 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.6 t -72.11 134.71 45.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.93 -18.98 42.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -74.33 -37.29 63.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -88.65 151.51 22.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 32.7 mt -120.43 16.89 12.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 16.7 p -138.68 163.81 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.468 ' CD2' HD23 ' A' ' 46' ' ' LEU . 79.7 t60 -147.91 128.42 14.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -102.44 125.24 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.7 mt -105.47 139.47 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.2 mtt -125.48 154.22 42.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.22 49.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 76' ' ' LEU . 10.9 mt -103.56 150.55 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' C ' HD12 ' A' ' 78' ' ' LEU . 91.8 m-20 -72.12 155.32 40.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 78' ' ' LEU . 3.6 mp -103.13 168.26 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.9 p30 38.3 35.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.6 m -134.57 135.61 42.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 tpt -69.57 141.15 53.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -139.0 132.3 29.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.8 m-85 -92.31 153.7 19.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.555 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.8 m-85 -132.22 129.39 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -146.71 106.36 3.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.662 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.2 tt -110.63 166.32 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.8 pt20 -149.87 -175.23 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -121.55 142.02 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD3' HD11 ' A' ' 45' ' ' ILE . 43.6 ttt180 -136.68 124.63 22.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 18.7 p30 -114.9 168.69 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 t -38.79 -31.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 90' ' ' ASN . 15.4 mmtm -74.87 -70.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.09 -159.08 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 88' ' ' ALA . 12.8 p -122.44 147.39 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -101.54 -156.92 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.11 10.0 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mp -111.45 163.36 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.5 t -79.67 166.27 22.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.98 146.74 91.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.7 Cg_endo -69.74 101.35 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 8.4 mt -74.62 133.63 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.98 110.74 23.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -135.5 115.14 12.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -78.88 125.43 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.4 p -61.94 162.4 9.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 24' ' ' PRO . 10.6 mt -61.25 160.32 10.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -121.49 116.0 23.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.461 HG22 HD23 ' A' ' 78' ' ' LEU . 27.3 m -82.72 45.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.4 p -42.29 -33.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.85 170.08 13.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 170.37 16.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.9 t -74.14 91.77 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.1 p -153.44 175.87 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -166.57 132.07 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.65 44.4 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.72 98.72 1.97 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -162.47 -174.99 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 m 62.81 34.33 14.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.05 154.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.05 66.06 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.661 2.24 . . . . 0.0 112.305 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -111.56 13.62 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -143.8 136.84 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.768 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -76.36 166.83 41.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.555 0.693 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.768 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.78 168.5 21.41 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.61 178.41 5.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.6 t0 61.71 30.89 18.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 29.3 tp -74.17 97.08 2.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -122.92 137.36 54.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.855 HG21 ' CD2' ' A' ' 84' ' ' PHE . 57.8 t -116.95 129.67 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.1 pt -138.63 144.54 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 12.2 t -77.67 127.14 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CG ' HD11 ' A' ' 28' ' ' ILE . 23.1 mtp180 -55.82 151.72 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.63 -27.74 40.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.66 -24.03 44.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -147.22 127.21 6.7 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -59.23 -10.68 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.44 154.34 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.9 m -150.21 150.49 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 72' ' ' GLN . 14.0 mm -108.97 94.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 17' ' ' VAL . 45.5 t -80.49 105.13 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.6 p -95.29 168.66 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CH2' HD13 ' A' ' 64' ' ' ILE . 31.4 p90 -175.45 -176.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -144.09 158.02 56.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.584 0.707 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.61 28.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.35 46.27 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -48.88 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.68 40.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.75 -20.48 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 46.84 37.16 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 135.85 120.36 1.99 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' GLY . 15.2 ttpt -34.22 115.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.781 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.3 mm -56.62 132.56 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.2 p -112.47 -17.98 12.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 151.36 26.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.781 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.6 m-85 -125.38 120.07 30.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -104.1 116.26 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 5.0 tp -105.04 148.72 26.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 1.0 OUTLIER -132.92 133.23 42.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -142.09 144.33 33.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.2 t -166.45 144.01 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.84 HD12 ' N ' ' A' ' 51' ' ' ASP . 2.2 pp -73.52 -21.19 60.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.84 ' N ' HD12 ' A' ' 50' ' ' LEU . 47.5 m-20 -119.47 132.49 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 14.3 ptpt -96.96 -27.4 14.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -42.77 -33.39 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -76.65 155.55 83.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.614 0.721 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.3 Cg_endo -69.79 137.2 34.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.283 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -38.31 -26.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.7 t70 -69.07 -47.05 66.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.4 t0 -61.63 -23.87 66.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.0 m0 -57.74 176.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.13 100.22 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.87 138.02 36.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -130.68 126.31 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.4 m -85.11 138.29 32.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.645 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -136.15 159.57 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.129 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 64' ' ' ILE . 4.1 m -77.38 130.54 37.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.87 -21.39 16.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -70.71 -48.24 55.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -77.96 153.0 32.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 81.1 mt -121.96 16.82 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.533 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 15.0 p -134.27 159.25 41.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.533 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 72.1 t60 -146.26 124.44 12.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 28' ' ' ILE . 26.3 tt0 -98.94 128.21 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.72 149.98 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 7.2 mtm -134.06 170.89 14.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.64 52.56 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -102.25 155.25 18.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.48 ' C ' HD22 ' A' ' 78' ' ' LEU . 32.2 m-20 -66.71 162.0 22.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.4 mm? -106.93 133.62 51.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 58.92 44.72 16.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.7 m -138.57 131.99 30.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.428 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 48.7 tpp -67.18 134.28 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 6.8 m-85 -128.18 117.04 20.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.595 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 11.2 m-85 -76.39 136.4 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.855 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.1 m-85 -111.55 131.7 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.555 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 35.5 mtt180 -148.4 107.02 3.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.756 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.8 tt -115.5 165.36 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.595 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.1 pt20 -147.38 -177.12 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.974 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -120.76 141.62 50.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -135.26 128.23 31.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.7 p30 -113.02 170.15 8.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.2 t -43.73 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' ASN . 45.6 mmtt -83.02 -75.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -152.31 -162.02 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.501 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.9 p -120.9 140.94 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.45 -164.66 37.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 53.5 Cg_endo -69.74 -173.1 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.09 165.2 15.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -82.41 173.13 12.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -66.18 146.3 99.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.77 112.7 3.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 90.7 mt -86.01 137.65 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.31 102.46 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.428 ' N ' ' SD ' ' A' ' 81' ' ' MET . 37.2 t80 -127.16 109.42 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -77.89 127.69 32.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.5 p -68.91 155.86 39.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.92 173.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 2.1 mppt? -127.48 107.14 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -123.92 149.18 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.1 p -119.07 114.08 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.03 132.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 88.54 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 90.4 p -102.99 165.86 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -80.34 -43.77 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.5 p -96.59 90.04 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 m -116.09 105.23 12.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.18 90.51 1.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 6' ' ' SER . 1.0 OUTLIER -125.91 -39.79 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.849 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.1 m -33.22 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -33.71 147.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.473 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.9 Cg_endo -69.76 142.08 46.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.302 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -109.95 26.81 10.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.3 p -151.03 130.67 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.754 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -81.06 165.64 43.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.578 0.704 . . . . 0.0 111.081 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.813 ' CG ' HG23 ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.72 161.82 44.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HE3' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -125.84 -174.73 3.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.7 t0 54.94 30.89 14.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 30' ' ' SER . 32.5 tp -73.4 105.91 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -129.95 138.97 51.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 29' ' ' VAL . 71.1 t -120.48 122.71 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.85 148.3 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.496 ' HA ' HG12 ' A' ' 27' ' ' VAL . 2.6 t -76.79 124.52 27.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.152 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HD2' HD11 ' A' ' 28' ' ' ILE . 38.7 ttt-85 -57.01 110.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -45.41 -35.43 3.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.57 -28.3 65.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -149.8 128.28 5.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.32 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CG ' HD11 ' A' ' 78' ' ' LEU . 45.0 mtp85 -57.56 -15.39 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.67 147.15 27.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 19' ' ' THR . 34.7 m -141.12 157.26 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.572 HD11 ' HD2' ' A' ' 20' ' ' ARG . 7.4 mm -115.04 100.07 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.727 HG22 HG22 ' A' ' 17' ' ' VAL . 43.0 t -87.15 108.95 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' HD12 ' A' ' 15' ' ' LEU . 53.9 p -100.51 169.46 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -173.26 175.7 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.65 159.28 70.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.03 39.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 164.36 34.77 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.525 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.2 mm? -81.69 -52.49 7.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.36 39.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.4 -24.36 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 50.57 37.61 16.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.62 128.58 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -40.9 108.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG21 ' CE1' ' A' ' 44' ' ' TYR . 45.3 mm -46.97 140.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 p -108.98 -27.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.66 152.38 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.774 ' CE1' HG21 ' A' ' 41' ' ' ILE . 48.9 m-85 -125.61 118.05 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.588 HD11 ' HD3' ' A' ' 89' ' ' ARG . 3.0 mp -101.23 128.09 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 47' ' ' PHE . 17.8 tp -110.11 150.17 28.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.664 ' H ' HD12 ' A' ' 46' ' ' LEU . 10.3 m-85 -135.2 122.58 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -135.91 146.64 47.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -167.0 149.24 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.5 pt? -80.15 -22.1 42.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -117.34 126.83 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 58.8 pttt -92.32 -26.57 18.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.61 -27.77 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 pt -83.47 155.57 65.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.85 140.07 41.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.9 tp -41.41 -24.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' PRO . 56.6 m-20 -70.89 -45.98 63.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 16.2 m0 -53.28 175.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.5 mt -95.23 102.26 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.95 146.94 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 61' ' ' MET . 10.9 mm-40 -142.12 131.48 23.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.1 m -88.7 138.23 31.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.689 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -135.02 148.05 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -64.82 133.48 52.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.95 -20.81 50.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.09 -32.96 63.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.821 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -91.53 152.03 20.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 35.6 mt -121.39 17.54 11.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 6.8 p -137.49 162.55 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.651 ' CD2' HD23 ' A' ' 46' ' ' LEU . 70.9 t60 -146.26 123.63 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 72' ' ' GLN . 1.3 tm0? -98.63 132.86 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HD21 ' A' ' 76' ' ' LEU . 31.6 mt -114.45 153.76 15.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 25.7 mtm -134.08 174.69 10.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 74' ' ' MET . 4.9 p-10 47.86 54.94 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 73' ' ' ILE . 80.8 mt -106.88 163.37 13.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 35.6 m-20 -76.29 145.81 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.593 HD11 ' CG ' ' A' ' 25' ' ' ARG . 7.0 mp -101.34 133.52 45.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 t0 67.16 44.85 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.7 m -140.28 147.06 39.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -74.79 124.85 27.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.9 m-85 -126.06 121.02 31.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 13.8 m-85 -84.31 146.12 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.707 ' CD2' HG21 ' A' ' 17' ' ' VAL . 72.2 m-85 -124.65 132.91 53.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.476 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 32.1 mtt180 -148.7 106.75 3.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.813 HG23 ' CG ' ' A' ' 12' ' ' PRO . 17.3 tt -114.03 160.8 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.605 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 5.0 pt20 -143.64 179.36 7.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -115.34 141.55 47.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.588 ' HD3' HD11 ' A' ' 45' ' ' ILE . 39.3 ttt180 -134.77 131.82 37.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.473 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 8.3 p30 -112.88 170.34 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -47.44 -19.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HG3' ' C ' ' A' ' 5' ' ' SER . 26.8 mmtt -88.15 -74.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.13 -161.24 9.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.0 p -123.64 143.38 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 111.097 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -93.15 -164.53 37.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -177.31 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.744 2.296 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -114.67 170.99 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t -93.57 170.12 9.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.56 145.86 97.01 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 22.1 mt -96.97 134.98 32.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -95.27 100.85 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 27' ' ' VAL . 32.2 t80 -120.68 109.52 15.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.2 ttp-105 -78.33 119.23 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 p -59.67 168.43 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.9 mt -65.52 173.8 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 106.07 8.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 65.7 t -109.76 96.64 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 p -108.64 168.59 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.02 -167.29 11.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -47.86 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.1 t -171.08 150.34 3.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 t 66.79 43.75 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -121.66 -48.52 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 94.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.25 88.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -134.98 141.85 46.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' H ' ' HZ3' ' A' ' 92' ' ' LYS . 3.3 t -133.94 -70.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.46 -179.96 17.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.6 Cg_endo -69.76 138.84 38.78 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.697 2.264 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.0 p -105.19 24.34 12.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.6 t -152.32 161.21 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.794 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -101.22 167.19 11.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.582 0.706 . . . . 0.0 111.098 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.73 161.69 44.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.36 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -123.98 -176.38 3.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.0 t0 53.99 33.33 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 30' ' ' SER . 51.5 tp -74.51 105.47 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.8 m -124.09 150.65 44.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 29' ' ' VAL . 75.0 t -133.0 121.45 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.1 pt -126.77 147.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 5.6 t -79.31 117.85 20.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.195 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.495 HH11 HD11 ' A' ' 28' ' ' ILE . 13.7 ttt85 -48.95 132.28 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -66.07 -32.1 73.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.16 -26.5 59.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.9 mmtm -147.39 127.93 6.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -50.9 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.545 ' HG2' HD21 ' A' ' 78' ' ' LEU . 18.8 mtt180 -60.14 -10.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.95 145.84 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -141.16 152.45 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 HD11 HH11 ' A' ' 20' ' ' ARG . 3.5 mm -109.78 96.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG22 HG22 ' A' ' 17' ' ' VAL . 61.1 t -86.26 107.22 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.3 t -101.72 170.99 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.814 ' CH2' HD13 ' A' ' 64' ' ' ILE . 44.1 p90 -171.85 179.67 2.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 1.4 mp0 -130.33 158.41 74.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.38 27.79 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.69 57.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 3.5 mm? -66.13 -46.37 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -81.39 47.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.9 -3.73 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 39.27 39.86 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.92 -130.96 4.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -131.28 113.75 14.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 11.9 mm -50.3 139.76 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 p -118.51 -19.49 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.34 143.07 20.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 40.3 m-85 -121.09 119.62 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.616 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.4 mp -103.07 124.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 47' ' ' PHE . 7.7 tp -109.67 150.11 28.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.579 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.5 m-85 -136.81 130.82 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' OH ' HG21 ' A' ' 60' ' ' ILE . 48.8 p90 -136.52 147.03 46.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -168.02 172.6 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 0.9 OUTLIER -122.96 -1.42 8.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 7.7 m-20 -125.8 62.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' ASP . 58.8 pttt -37.67 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 54' ' ' ILE . 20.2 p30 -41.68 -39.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 58' ' ' ASP . 10.6 pt -80.17 155.86 74.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.77 140.63 43.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 97' ' ' LEU . 8.8 tp -38.6 -25.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.9 OUTLIER -65.63 -46.34 79.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.735 ' HB3' HD12 ' A' ' 54' ' ' ILE . 6.7 t0 -65.97 -25.3 67.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -55.29 173.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.584 HG21 ' OH ' ' A' ' 48' ' ' TYR . 39.7 mt -91.52 102.04 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.616 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 3.7 ttp -80.66 147.33 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' MET . 27.3 mm-40 -142.16 121.54 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.2 m -81.41 132.04 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.814 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -127.91 155.52 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 m -72.51 124.68 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 44' ' ' TYR . . . -49.33 -20.96 2.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -73.89 -40.38 63.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -84.34 152.18 24.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 19.9 mt -121.69 16.44 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 p -136.88 159.47 41.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -146.7 130.99 17.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.0 tt0 -102.52 130.17 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -110.72 151.04 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 6.3 mtm -132.39 157.27 44.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 66.76 52.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 76' ' ' LEU . 11.9 mt -104.49 136.93 43.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -52.83 157.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 25' ' ' ARG . 25.4 mt -106.28 152.77 23.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 2.8 p30 50.14 30.07 4.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.5 m -129.37 128.99 44.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ttm -66.74 137.58 56.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' CZ ' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.53 124.09 35.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -85.17 124.8 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.674 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.1 m-85 -101.21 139.49 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 32.0 mtt180 -152.78 107.1 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.752 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -113.76 164.56 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.653 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.6 pt20 -144.35 177.95 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.62 140.4 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -141.42 129.68 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 11.8 p30 -119.22 169.9 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.2 p -43.96 -22.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HZ3' ' H ' ' A' ' 6' ' ' SER . 4.4 mtpm? -79.56 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.76 -156.49 12.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.542 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -126.91 143.62 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 8' ' ' PRO . . . -96.88 -163.63 32.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -163.15 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.7 mt -119.84 -176.59 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.4 t -111.35 168.42 9.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.16 142.04 97.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 115.95 4.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 65.1 mt -87.27 133.91 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.72 100.5 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -123.21 110.72 15.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -78.97 124.85 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 22.0 p -64.33 162.94 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.2 mt -65.02 174.56 1.88 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -132.72 120.2 21.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.43 47.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -40.87 -51.64 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -163.6 -171.51 29.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.58 68.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.363 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -102.51 113.49 26.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 t -45.49 -54.61 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -84.88 42.39 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -57.39 163.51 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -54.47 2.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.485 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -70.27 94.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -101.62 107.2 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.85 -162.51 5.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.24 53.14 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 p -107.21 24.0 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -156.4 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.803 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.8 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -80.49 167.74 30.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.8 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.66 170.41 16.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.734 2.29 . . . . 0.0 112.359 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HE3' ' CD2' ' A' ' 35' ' ' LEU . 3.4 ptpt -128.73 -175.35 3.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 55.13 29.06 11.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 tp -74.1 109.65 7.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -129.67 151.0 50.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.873 HG21 ' CD2' ' A' ' 84' ' ' PHE . 59.7 t -129.49 113.96 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -118.01 146.39 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.685 ' HA ' HG12 ' A' ' 27' ' ' VAL . 10.1 t -78.81 120.43 23.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -52.43 109.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -45.5 -35.23 3.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 23' ' ' LYS . . . -72.8 -28.78 66.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 22' ' ' GLY . 31.1 mtpt -150.2 128.05 5.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -42.34 3.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.589 ' HG2' HD21 ' A' ' 78' ' ' LEU . 20.8 mtt180 -63.74 -12.72 37.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.37 146.2 33.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 19' ' ' THR . 18.7 m -140.7 155.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 mm -110.37 100.93 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG22 HG22 ' A' ' 17' ' ' VAL . 99.4 t -88.34 105.55 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.7 p -99.13 171.77 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.676 ' CH2' HD13 ' A' ' 64' ' ' ILE . 39.1 p90 -175.04 175.29 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.25 159.42 70.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 136.21 32.31 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.674 2.249 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.03 64.31 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HE3' ' A' ' 13' ' ' LYS . 4.4 mm? -76.62 -43.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -82.65 40.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.61 -5.85 13.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 40.7 41.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.59 -141.87 12.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.8 tttt -121.28 110.08 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG21 ' CE1' ' A' ' 44' ' ' TYR . 28.7 mm -47.27 150.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.7 p -123.11 -21.33 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.52 155.45 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CE1' HG21 ' A' ' 41' ' ' ILE . 39.0 m-85 -125.91 122.68 36.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -107.31 113.25 43.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD12 ' HB ' ' A' ' 86' ' ' ILE . 3.3 tp -101.62 146.59 27.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' HG22 ' A' ' 45' ' ' ILE . 2.2 m-85 -131.35 128.31 39.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.75 144.54 47.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.465 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.1 t -164.26 158.09 18.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 0.5 OUTLIER -89.89 -16.3 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.91 127.71 48.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' ILE . 7.9 pttp -91.7 -31.13 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -40.39 -26.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LYS . 13.3 pt -87.02 155.03 55.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 111.166 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 137.38 35.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 97' ' ' LEU . 9.3 tp -38.08 -26.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 36.7 t70 -67.22 -46.45 73.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t0 -61.82 -26.55 68.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.651 ' CZ2' ' NH2' ' A' ' 85' ' ' ARG . 14.5 m0 -54.36 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.0 mt -105.11 100.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.605 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -79.94 137.93 36.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -136.86 116.05 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 78.5 m -70.72 137.36 49.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.676 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -133.91 147.54 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -62.41 134.73 56.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.41 -24.38 55.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.65 -42.17 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -80.38 151.78 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 18.3 mt -123.77 16.9 9.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.462 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 13.3 p -136.88 161.12 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 75.9 t60 -146.03 125.09 12.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -97.75 128.87 44.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.8 mt -110.19 148.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 50.4 mtm -132.44 153.69 50.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 71.55 54.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 76' ' ' LEU . 16.2 mt -107.46 139.39 42.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.83 169.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD13 HG22 ' A' ' 108' ' ' VAL . 25.0 mt -121.18 127.56 51.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 73.19 34.1 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.4 m -130.69 133.11 45.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.9 tpt -61.46 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 7.0 m-85 -123.19 121.47 36.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -87.72 149.54 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.873 ' CD2' HG21 ' A' ' 17' ' ' VAL . 70.8 m-85 -130.24 125.15 34.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.651 ' NH2' ' CZ2' ' A' ' 59' ' ' TRP . 40.9 mtm180 -141.8 104.99 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.727 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.1 tt -110.74 165.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 6.2 pt20 -145.53 -175.05 4.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -123.1 140.44 53.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.0 ttt180 -132.96 129.77 38.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.2 p30 -121.72 170.1 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 t -37.85 -32.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 90' ' ' ASN . 8.6 mmpt? -75.01 -71.26 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.45 -161.16 13.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 88' ' ' ALA . 14.4 p -120.83 144.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.479 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.99 -161.32 30.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.78 4.2 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 56' ' ' ILE . 4.4 mp -111.83 169.93 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -88.17 171.06 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.09 140.66 94.1 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 0.0 110.822 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.76 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.8 mt -53.9 133.59 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.21 101.7 13.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -122.56 125.06 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -95.13 118.92 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 3.1 p -58.52 158.0 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.04 165.23 5.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -124.98 98.03 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.688 HG22 HD13 ' A' ' 78' ' ' LEU . 29.5 m -74.35 169.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 m -138.34 -178.32 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -86.73 140.47 17.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -6.31 18.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.641 2.227 . . . . 0.0 112.346 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -68.03 93.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -116.87 -57.04 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.425 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 p -115.72 166.79 11.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -149.17 115.19 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.84 57.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 44.89 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -84.54 121.58 27.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.36 -168.56 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.47 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.0 Cg_endo -69.75 142.02 46.84 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.359 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.6 p -100.52 21.42 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -152.62 141.4 21.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.855 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.61 169.01 18.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.558 0.694 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.8 Cg_endo -69.77 159.33 53.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 15.2 pttp -123.42 -174.54 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 53.72 38.25 28.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 42.3 tp -80.37 106.1 12.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.8 m -128.05 142.42 51.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 29' ' ' VAL . 87.3 t -122.96 118.59 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.7 pt -117.98 151.01 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 19' ' ' THR . 9.9 t -80.48 114.91 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.989 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -42.23 119.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -59.5 -26.4 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.57 -17.17 53.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 33.0 mtpt -151.09 129.04 5.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -45.22 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.386 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -68.59 -19.44 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 20' ' ' ARG . . . -91.76 155.04 18.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 19' ' ' THR . 22.6 m -150.52 160.88 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.989 HD11 ' HD2' ' A' ' 20' ' ' ARG . 18.6 mm -120.75 95.66 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.865 HG22 HG22 ' A' ' 17' ' ' VAL . 86.8 t -81.56 111.09 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.7 p -101.49 171.17 7.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.738 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.8 p90 -175.11 176.81 2.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -130.64 157.41 77.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.21 30.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.266 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.79 55.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.1 mm? -66.06 -48.87 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -79.6 45.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.28 -9.35 55.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 46.41 29.86 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.23 17.34 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -115.69 109.56 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.721 0.296 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.743 HG21 ' CE1' ' A' ' 44' ' ' TYR . 32.6 mm -46.39 142.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.1 p -116.99 -20.07 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.11 28.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.743 ' CE1' HG21 ' A' ' 41' ' ' ILE . 33.8 m-85 -127.84 119.89 26.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.606 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -103.76 118.29 50.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.6 tp -106.68 146.89 30.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.59 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -131.25 131.19 43.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.02 143.94 36.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -165.39 161.51 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.0 OUTLIER -95.94 -12.58 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.687 ' N ' HD12 ' A' ' 50' ' ' LEU . 52.9 m-20 -124.04 118.2 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -85.78 -29.06 24.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -42.72 -27.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -85.44 155.4 59.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.674 0.749 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.5 Cg_endo -69.75 138.81 38.74 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.374 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 97' ' ' LEU . 9.1 tp -39.58 -26.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' PRO . 50.7 m-20 -68.47 -45.75 71.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' PRO . 3.9 t0 -63.48 -24.68 67.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.427 ' CH2' ' HD2' ' A' ' 85' ' ' ARG . 14.6 m0 -57.08 -177.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.5 mt -100.65 100.02 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.606 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.8 ttp -80.8 138.58 36.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -132.31 127.18 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.8 m -85.35 134.33 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.738 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.2 mt -129.91 154.4 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -70.39 125.24 26.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -48.07 -25.31 3.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -72.31 -38.17 68.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.349 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -81.52 154.16 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 66.2 mt -125.85 14.94 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.512 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.1 p -135.73 161.81 34.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.551 ' CD2' HD23 ' A' ' 46' ' ' LEU . 71.5 t60 -147.83 125.74 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -98.69 132.96 43.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 74' ' ' MET . 19.2 mt -115.91 152.93 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.418 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 mtm -133.97 168.65 18.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 56.28 54.9 7.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.8 mt -104.66 144.32 31.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 22.4 m-20 -53.98 164.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -106.02 143.44 34.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p30 44.52 43.89 6.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -129.75 143.65 50.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 46.5 tpp -76.77 127.26 32.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 8.8 m-85 -122.86 119.99 32.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -81.49 130.14 34.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.846 ' CD2' HG21 ' A' ' 17' ' ' VAL . 67.0 m-85 -107.15 134.02 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HD2' ' CH2' ' A' ' 59' ' ' TRP . 36.2 mtt180 -150.01 109.43 3.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.743 HG23 ' HG2' ' A' ' 12' ' ' PRO . 18.1 tt -117.73 160.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.618 ' HB3' HD23 ' A' ' 97' ' ' LEU . 4.4 pt20 -138.33 -179.02 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.58 138.99 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -133.1 127.67 34.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 4.7 p30 -108.76 170.66 7.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.4 p -49.59 -17.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -88.97 -70.67 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' O ' ' OD1' ' A' ' 90' ' ' ASN . . . -151.58 -159.24 8.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.27 137.11 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.63 -165.42 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.415 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -163.23 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.9 mt -117.28 176.44 5.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.81 164.1 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.43 142.72 93.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.619 0.723 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 125.19 11.82 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 15' ' ' LEU . 10.8 mt -97.28 137.76 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.6 mp -96.03 100.92 12.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -125.24 104.92 8.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -79.0 125.57 29.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 p -59.79 156.7 13.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 9.5 mt -63.55 160.56 16.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.508 ' HE2' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -96.17 128.91 43.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 108' ' ' VAL . 8.9 p -119.59 29.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 p -73.1 146.58 45.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.87 164.9 0.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.5 t -38.38 122.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.0 m -121.97 156.09 34.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.529 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -85.8 127.25 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.9 p -91.1 86.25 6.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 -79.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' HB2' ' C ' ' A' ' 92' ' ' LYS . 26.1 p -124.73 122.24 36.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -86.99 -39.61 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.98 168.32 0.68 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.76 139.71 40.91 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -103.74 16.92 25.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.2 m -145.17 156.6 43.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -98.15 166.35 13.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.554 0.693 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.774 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.75 163.2 39.13 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLN . 11.5 pttt -121.58 -175.09 3.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t0 58.92 26.86 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.1 tp -70.0 101.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -128.47 137.91 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 29' ' ' VAL . 74.7 t -118.46 122.48 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.0 pt -130.79 142.37 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -72.91 145.32 46.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.934 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.7 tpt180 -67.36 136.45 54.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -114.85 4.47 22.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -154.58 113.96 2.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -77.53 7.06 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -112.06 151.72 29.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -150.24 132.66 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.934 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -96.05 97.76 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 17' ' ' VAL . 45.6 t -85.29 102.79 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.0 p -95.87 170.43 9.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.4 p90 -175.06 -176.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.2 mm-40 -136.9 162.59 54.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.5 Cg_endo -69.85 138.32 37.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.73 69.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.408 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.46 -50.54 25.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.955 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -86.13 51.62 2.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.74 -8.01 49.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 46.97 36.1 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.66 -140.69 9.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -123.02 112.08 17.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 25.7 mm -50.8 137.52 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -118.04 -11.05 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.73 144.44 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 51.1 m-85 -119.53 118.72 31.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.607 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -101.48 120.72 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 71' ' ' HIS . 6.4 tp -107.03 147.74 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.588 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.1 m-85 -132.84 138.14 46.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -145.5 146.04 31.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.596 HG21 ' CE2' ' A' ' 59' ' ' TRP . 6.1 t -161.41 178.04 9.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.879 HD23 ' CE1' ' A' ' 82' ' ' TYR . 0.7 OUTLIER -129.99 2.81 4.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' ASN . 31.7 m-20 -133.81 68.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 41.4 pttt -38.52 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 51' ' ' ASP . 67.0 m-80 -41.61 -39.67 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.556 HD12 ' HB3' ' A' ' 58' ' ' ASP . 12.1 pt -82.65 155.07 68.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' ASP . 53.6 Cg_endo -69.76 142.29 47.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.442 HD13 ' HD3' ' A' ' 85' ' ' ARG . 9.6 tp -40.75 -29.24 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -65.08 -43.94 90.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.556 ' HB3' HD12 ' A' ' 54' ' ' ILE . 1.3 t70 -66.29 -27.14 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.3 m0 -53.61 170.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.33 101.79 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.607 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.7 ttp -80.93 143.8 32.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 61' ' ' MET . 16.6 mm-40 -136.17 125.65 25.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.4 m -83.32 131.81 35.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.887 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.5 mt -125.9 145.94 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 m -61.27 127.61 32.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -50.93 -23.06 6.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.53 -44.22 52.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -77.61 148.85 34.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 16.6 mt -120.63 18.35 11.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 5.9 p -139.66 160.38 40.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.454 ' CD2' HD23 ' A' ' 46' ' ' LEU . 75.6 t60 -146.62 135.38 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -108.39 129.94 55.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.6 mt -108.67 143.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.5 mtm -127.18 154.38 44.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 t70 70.86 51.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.29 142.66 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -50.41 158.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.7 mm? -103.46 127.95 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 42.5 t0 60.94 53.36 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -145.03 139.49 27.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 48.5 tpp -68.93 134.29 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.879 ' CE1' HD23 ' A' ' 50' ' ' LEU . 8.7 m-85 -128.43 121.9 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 8.4 m-85 -83.99 134.74 34.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.655 ' CD2' HG21 ' A' ' 17' ' ' VAL . 79.4 m-85 -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' HD3' HD13 ' A' ' 56' ' ' ILE . 48.3 mtp180 -151.62 106.67 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.774 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.0 tt -112.81 162.4 10.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.56 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.9 pt20 -144.61 -177.97 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.03 141.72 51.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -133.42 125.77 29.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' LYS . 29.6 p30 -114.01 169.45 9.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 94.9 p -39.34 -25.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' ASN . 4.0 mmmm -78.92 -67.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.47 -157.47 11.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.3 p -119.88 136.57 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.356 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -92.28 -160.58 36.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -179.36 2.83 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.392 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mp -117.89 171.63 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 t -87.57 167.77 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -62.03 147.39 90.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.698 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 96.68 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.482 HD12 ' HG ' ' A' ' 15' ' ' LEU . 42.7 mt -66.79 143.2 15.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -101.25 103.83 14.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -129.65 118.75 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -87.96 135.15 33.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.2 p -76.58 154.68 34.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 107' ' ' LYS . 10.2 mt -63.24 159.19 18.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -115.95 99.29 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 108' ' ' VAL . 14.5 p -86.38 111.54 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.8 m -74.63 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -158.45 145.87 12.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 86.53 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.8 p -98.15 133.31 42.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -100.05 161.31 13.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -76.68 98.48 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -71.72 -51.64 21.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.12 -92.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.434 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -42.04 106.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -107.59 -61.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.61 171.82 29.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.5 Cg_endo -69.74 152.95 69.52 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -114.68 15.77 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -147.12 158.83 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.833 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -97.09 168.8 9.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 54.0 Cg_endo -69.75 171.71 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.36 -177.34 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t0 57.29 31.49 20.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD22 ' OG ' ' A' ' 98' ' ' SER . 42.2 tp -73.55 106.25 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -129.12 141.3 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 60.7 t -122.9 120.12 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 pt -131.19 141.64 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -72.44 143.89 48.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HD2' HD11 ' A' ' 28' ' ' ILE . 10.0 ttt85 -75.03 143.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.3 -23.64 61.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.14 -23.6 37.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -153.78 127.22 4.27 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.521 0.677 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -41.46 4.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 78' ' ' LEU . 17.2 mtt180 -63.65 -14.7 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.19 144.43 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -140.39 151.61 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.561 HD13 ' HG3' ' A' ' 72' ' ' GLN . 5.0 mm -107.69 97.35 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG22 ' A' ' 17' ' ' VAL . 61.4 t -84.89 103.49 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -94.4 169.12 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.8 p90 -175.18 -176.11 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -145.04 158.56 51.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.718 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.39 27.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.27 31.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.55 -34.66 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -85.14 28.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.85 -11.49 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . 73.8 m-20 47.43 33.89 3.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.69 -130.9 3.67 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -129.86 111.54 12.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' CE1' ' A' ' 44' ' ' TYR . 44.2 mm -51.08 152.59 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 ' N ' HG22 ' A' ' 41' ' ' ILE . 47.1 p -125.68 -31.95 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -144.09 157.06 44.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CE1' HG21 ' A' ' 41' ' ' ILE . 46.7 m-85 -128.23 117.99 22.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 45' ' ' ILE . 2.7 mp -101.44 117.9 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 6.2 tp -102.79 147.89 26.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 2.1 m-85 -134.38 137.01 43.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' TYR . 52.5 p90 -147.74 145.64 28.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -168.04 145.75 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 3.9 pp -78.85 -14.59 59.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -124.58 121.83 35.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 16.4 ptpt -89.01 -25.26 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -44.73 -30.06 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.8 pt -80.49 156.02 73.6 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.75 136.34 32.77 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.2 tp -37.08 -28.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 52.2 m-20 -67.32 -47.54 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' PRO . 2.8 t70 -60.98 -24.69 66.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 14.3 m0 -57.37 170.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -91.03 100.42 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -81.19 139.66 35.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -132.86 125.79 30.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.418 ' C ' HG13 ' A' ' 64' ' ' ILE . 32.1 m -83.83 139.02 32.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.657 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.8 mt -137.27 152.39 27.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -68.89 133.37 48.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.98 -14.46 24.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -77.7 -43.61 30.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.789 0.328 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -82.51 151.69 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 78.2 mt -119.16 18.19 13.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.556 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 5.6 p -138.86 160.24 40.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 61.7 t60 -147.89 128.43 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 28' ' ' ILE . 6.2 tt0 -101.65 124.64 47.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 28.9 mt -101.86 144.86 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 5.5 mtt -128.24 153.65 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.6 t0 70.0 53.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.14 155.64 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.452 ' O ' HG21 ' A' ' 105' ' ' THR . 81.9 m-20 -76.69 140.28 40.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.866 HD11 ' HG3' ' A' ' 25' ' ' ARG . 10.2 mp -90.72 157.26 17.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.89 45.24 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.9 m -140.97 141.64 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.422 ' SD ' HD23 ' A' ' 102' ' ' LEU . 3.3 tpt -74.04 129.91 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.0 m-85 -130.3 124.98 33.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.594 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 12.7 m-85 -89.86 134.93 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 86.4 m-85 -110.14 136.74 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -153.87 105.41 2.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.761 HG23 ' CG ' ' A' ' 12' ' ' PRO . 21.2 tt -111.15 165.15 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 pt20 -147.38 178.87 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -117.15 137.27 52.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.9 ttt-85 -130.47 130.85 44.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.465 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 25.5 p30 -120.36 170.05 9.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' ASN . 8.4 t -38.26 -30.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.7 mtmt -76.14 -71.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.14 -159.8 11.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -122.53 143.35 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -96.55 -158.25 31.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.53 2.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mp -116.66 162.37 17.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.516 ' OG ' HD22 ' A' ' 15' ' ' LEU . 79.8 p -76.26 169.3 18.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.41 146.81 92.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 34.0 mt -79.57 133.41 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD23 ' SD ' ' A' ' 81' ' ' MET . 3.5 mp -92.83 109.19 20.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -133.42 108.69 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -79.33 121.81 25.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.452 HG21 ' O ' ' A' ' 77' ' ' ASN . 32.6 p -54.47 164.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' A' ' 106' ' ' LEU . 11.0 mt -61.65 172.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 112.54 13.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.7 m -81.32 47.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 m -67.91 -54.6 17.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 154.53 141.22 3.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.74 51.87 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.373 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.9 m -48.38 106.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 m -54.09 -51.79 63.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -112.84 146.36 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -103.99 107.45 18.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.27 144.17 17.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.535 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 p -99.91 123.36 44.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -152.91 111.91 3.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.63 -172.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 149.76 67.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -111.82 19.88 17.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -152.5 141.38 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.85 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.09 169.17 18.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.577 0.703 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.69 171.97 13.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.388 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.25 -176.56 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.3 t0 50.75 36.01 13.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.83 109.55 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -127.39 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.169 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.735 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 53.1 t -132.45 124.2 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.4 pt -130.36 149.06 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -84.69 121.75 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -51.47 142.83 13.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.86 56.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.31 -20.88 47.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -153.83 127.27 4.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.534 0.683 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.499 ' CG ' HG11 ' A' ' 108' ' ' VAL . 53.9 Cg_endo -69.72 -42.53 3.37 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.751 2.3 . . . . 0.0 112.309 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' HG3' HD21 ' A' ' 78' ' ' LEU . 45.1 mtp180 -66.48 -5.09 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.94 153.08 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -152.31 139.44 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' HG3' ' A' ' 72' ' ' GLN . 3.1 mm -101.47 105.48 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 17' ' ' VAL . 50.6 t -91.61 108.4 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.108 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.7 p -96.51 168.36 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.754 ' CH2' HD13 ' A' ' 64' ' ' ILE . 32.6 p90 -175.31 172.71 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.38 156.98 76.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.605 0.717 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD3' HD11 ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.67 136.08 32.33 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.723 2.282 . . . . 0.0 112.346 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.86 69.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.6 mm? -75.44 -35.5 60.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -90.37 45.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.3 52.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 43.9 40.74 3.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 142.84 -130.82 4.34 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.435 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -133.45 111.64 10.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.687 HG21 ' CZ ' ' A' ' 44' ' ' TYR . 31.5 mm -49.22 147.26 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.1 p -124.37 -19.3 5.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.75 144.93 19.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.687 ' CZ ' HG21 ' A' ' 41' ' ' ILE . 65.9 m-85 -121.28 116.06 24.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.67 HD12 ' N ' ' A' ' 45' ' ' ILE . 2.5 mp -98.6 123.09 50.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tp -106.11 144.56 32.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 61' ' ' MET . 10.3 m-85 -130.85 122.97 28.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 53.9 p90 -134.78 146.14 49.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 t -168.96 153.96 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD23 ' CE1' ' A' ' 82' ' ' TYR . 3.7 pp -92.28 -7.93 46.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' HD12 ' A' ' 50' ' ' LEU . 11.9 m-20 -124.87 117.79 24.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 38.4 pttt -87.17 -27.15 23.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -46.63 -23.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.9 pt -89.01 155.35 49.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 57' ' ' ASP . 54.0 Cg_endo -69.71 137.13 34.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.378 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.0 tp -37.21 -28.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.0 t70 -67.9 -46.4 71.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -61.89 -24.92 67.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 15.6 m0 -55.94 177.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.462 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 5.1 mp -96.75 100.77 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.615 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 4.0 ttp -80.61 148.57 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' N ' ' HG2' ' A' ' 61' ' ' MET . 14.2 mm-40 -143.07 123.59 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 m -81.38 135.95 35.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.754 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.7 mt -132.75 145.54 34.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 t -60.64 135.72 57.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.73 -18.67 53.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -80.34 -34.95 36.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -85.09 151.16 24.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 33.1 mt -121.21 15.59 11.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.3 p -137.35 158.31 44.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -145.41 127.09 15.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HG3' HD13 ' A' ' 28' ' ' ILE . 8.9 tt0 -101.51 125.71 48.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.3 mt -106.48 148.24 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 55.1 mtm -131.46 158.29 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 68.96 50.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 76' ' ' LEU . 15.7 mt -105.18 137.72 42.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.13 162.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD21 ' HG3' ' A' ' 25' ' ' ARG . 23.7 mt -113.22 130.27 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 67.49 45.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -142.03 132.15 24.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.496 ' N ' ' HD3' ' A' ' 104' ' ' ARG . 44.0 tpp -64.52 124.93 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.67 ' CE1' HD23 ' A' ' 50' ' ' LEU . 5.5 m-85 -122.0 116.94 25.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.962 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 7.9 m-85 -77.17 141.85 39.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.735 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 66.7 m-85 -117.7 136.96 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 33.4 mtt180 -151.6 107.26 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.746 HG23 ' CG ' ' A' ' 12' ' ' PRO . 20.7 tt -111.86 166.34 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' HG12 ' A' ' 86' ' ' ILE . 3.2 pt20 -148.82 -176.04 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.99 135.12 51.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -131.18 129.23 41.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -117.17 170.16 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -40.51 -30.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -74.19 -68.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.44 -157.21 9.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -124.78 141.58 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.64 -159.52 32.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -169.69 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.26 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mp -125.82 164.97 19.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -81.06 172.76 13.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.3 148.73 98.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.832 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 53.8 Cg_endo -69.78 108.09 2.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.22 134.66 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.15 102.07 14.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -131.36 110.7 11.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 81' ' ' MET . 6.9 tpp180 -77.76 146.93 35.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.6 p -84.58 158.16 21.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' HG ' HG21 ' A' ' 19' ' ' THR . 10.8 mt -59.89 169.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.26 104.83 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.499 HG11 ' CG ' ' A' ' 24' ' ' PRO . 1.4 p -125.53 94.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -95.9 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -112.15 -171.69 18.75 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.42 21.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.6 m 53.27 42.35 32.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' SER . 47.7 t -37.56 106.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.449 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -98.83 141.16 31.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -88.42 44.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.73 -86.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.8 p -166.33 123.46 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -148.07 105.71 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.63 -175.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 53.8 Cg_endo -69.74 146.38 60.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.0 p -109.34 25.9 11.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.2 t -155.01 153.67 31.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.755 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -94.45 166.07 16.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.08 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.763 ' CG ' HG23 ' A' ' 86' ' ' ILE . 53.8 Cg_endo -69.76 164.56 34.09 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 35' ' ' LEU . 1.1 ptpt -123.26 -176.01 3.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t70 60.11 28.86 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 101' ' ' ILE . 37.7 tp -71.91 99.91 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.2 m -126.44 135.55 51.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 84' ' ' PHE . 98.5 t -116.9 127.85 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.3 pt -134.17 143.42 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 t -77.34 131.26 38.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.918 ' HD2' HD11 ' A' ' 28' ' ' ILE . 1.4 tpt180 -51.6 148.31 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.16 -18.48 57.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.69 -2.44 14.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mmmm -142.25 107.34 5.68 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 54.3 Cg_endo -69.7 -32.18 19.35 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' HD21 ' A' ' 78' ' ' LEU . 22.0 mtp180 -83.74 6.3 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.44 159.69 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.8 m -153.34 135.4 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.918 HD11 ' HD2' ' A' ' 20' ' ' ARG . 5.0 mm -96.76 98.94 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 17' ' ' VAL . 48.3 t -86.71 109.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.3 p -101.71 171.21 7.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.662 ' CH2' HD13 ' A' ' 64' ' ' ILE . 40.3 p90 -175.31 -176.82 0.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 3.0 mm-40 -137.79 161.9 57.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.78 136.46 32.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 148.16 64.64 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 13' ' ' LYS . 4.5 mm? -72.31 -33.95 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -94.27 43.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 -13.32 61.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 44.97 38.69 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.56 -123.2 1.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HE2' HG22 ' A' ' 42' ' ' THR . 3.9 ttpm? -141.77 118.88 11.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.834 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.9 mm -61.49 127.39 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HE2' ' A' ' 40' ' ' LYS . 31.0 p -116.28 -3.75 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.13 138.6 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.834 ' CE1' HG21 ' A' ' 41' ' ' ILE . 51.4 m-85 -120.77 114.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 45' ' ' ILE . 2.8 mp -98.41 125.21 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 71' ' ' HIS . 5.4 tp -107.54 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.592 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 3.0 m-85 -136.93 125.81 24.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -137.92 145.32 41.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE2' ' A' ' 59' ' ' TRP . 14.3 t -164.88 161.78 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.62 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.4 pt? -95.48 -20.49 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.76 119.13 33.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 28.8 pttt -85.58 -24.11 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -46.28 -24.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.6 pt -89.61 155.54 48.22 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.79 138.17 37.08 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.1 tp -37.65 -27.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 m-20 -67.93 -46.24 72.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -62.82 -24.07 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.453 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.3 m0 -57.56 -176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.665 HG22 ' OE1' ' A' ' 62' ' ' GLU . 5.2 mp -101.98 100.92 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 3.4 ttp -81.37 145.91 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' OE1' HG22 ' A' ' 60' ' ' ILE . 7.0 mp0 -142.16 132.78 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -88.11 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.4 mt -136.25 145.55 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -60.81 133.13 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -57.96 -22.64 49.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -72.39 -38.09 68.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -85.64 149.87 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 24.8 mt -120.38 18.93 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 7.5 p -141.44 162.58 35.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.523 ' CD2' HD23 ' A' ' 46' ' ' LEU . 80.9 t60 -145.59 128.25 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.556 ' HG3' HD13 ' A' ' 28' ' ' ILE . 16.9 tt0 -102.07 122.38 43.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mt -104.19 150.07 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 52.9 mtm -134.14 156.0 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 68.42 50.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 76' ' ' LEU . 13.0 mt -103.02 135.21 45.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 65.8 m-20 -45.65 150.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 HG22 ' A' ' 108' ' ' VAL . 63.1 mt -98.59 148.93 23.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 3.3 p30 47.35 40.17 10.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.7 m -133.65 130.26 38.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.4 tpt -61.68 135.63 57.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 5.8 m-85 -134.19 127.81 32.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 14.7 m-85 -88.97 144.18 26.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 80.4 m-85 -120.22 132.91 55.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 34.5 mtt180 -149.54 108.83 3.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.763 HG23 ' CG ' ' A' ' 12' ' ' PRO . 7.5 tt -118.18 155.78 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 9.0 pt20 -137.1 -175.41 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -128.93 138.77 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HB2' HG23 ' A' ' 94' ' ' VAL . 23.6 ttp85 -133.32 136.13 45.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.454 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 9.0 p30 -118.53 169.61 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -43.35 -30.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -72.83 -65.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.39 -157.92 9.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 89' ' ' ARG . 12.1 p -126.95 141.45 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 111.168 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -98.57 -165.56 30.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -171.55 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -118.25 177.2 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -94.88 170.82 9.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.63 146.9 98.16 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.0 7.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.537 HD12 ' HG ' ' A' ' 15' ' ' LEU . 39.9 mt -92.13 138.91 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.96 109.53 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -137.23 115.98 12.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -85.47 126.87 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.0 p -63.14 166.9 5.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.4 mt -66.0 172.36 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.09 104.52 6.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 16.7 m -78.49 49.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.0 m -64.81 -39.74 94.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -167.45 146.12 10.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 139.48 40.36 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.71 2.273 . . . . 0.0 112.369 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.0 p -126.02 168.05 14.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 p -170.33 161.35 8.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -158.98 142.96 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.838 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -152.6 110.03 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.29 -153.15 9.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -49.16 139.46 10.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -115.8 -45.37 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.41 163.61 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HG3' ' O ' ' A' ' 88' ' ' ALA . 53.2 Cg_endo -69.77 135.19 29.8 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 p -100.06 15.59 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -148.65 141.18 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.852 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -82.86 169.09 18.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.074 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.852 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.83 167.06 25.62 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.79 ' NZ ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -129.88 -174.68 3.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t0 53.75 32.55 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' HD12 ' A' ' 101' ' ' ILE . 55.2 tp -74.01 100.73 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.2 m -122.17 135.79 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 84' ' ' PHE . 98.5 t -117.61 122.4 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.74 158.63 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 ' HA ' HG12 ' A' ' 27' ' ' VAL . 1.8 t -96.35 114.78 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.943 ' HD2' HD11 ' A' ' 28' ' ' ILE . 2.6 tpt180 -34.24 124.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 pp20? -62.68 -7.75 5.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.71 -10.07 8.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 5.8 mmmm -146.95 120.31 4.97 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.99 7.13 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 78' ' ' LEU . 33.3 mtm180 -76.58 -6.35 51.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -108.69 140.39 42.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 19' ' ' THR . 27.0 m -138.43 153.13 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.943 HD11 ' HD2' ' A' ' 20' ' ' ARG . 4.8 mm -112.29 97.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 17' ' ' VAL . 57.6 t -83.2 108.02 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.164 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -99.66 168.87 9.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.703 ' CH2' HD13 ' A' ' 64' ' ' ILE . 38.6 p90 -173.37 176.37 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' CD ' ' O ' ' A' ' 31' ' ' TRP . 1.3 mp0 -129.25 157.65 75.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.546 0.688 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.71 33.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.731 2.288 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.57 67.02 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD23 ' NZ ' ' A' ' 13' ' ' LYS . 4.5 mm? -72.75 -41.2 65.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -91.18 40.4 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -17.04 59.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 42.93 46.76 4.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 126.58 120.09 2.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' GLY . 43.7 tttt -35.23 115.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.759 0.314 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.629 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 50.7 mm -50.12 148.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -122.14 -14.18 8.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.0 133.35 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 41' ' ' ILE . 55.1 m-85 -111.71 117.62 33.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.594 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.3 mp -101.8 124.14 55.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD12 ' HB ' ' A' ' 86' ' ' ILE . 8.6 tp -106.42 149.88 26.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 10.4 m-85 -134.63 122.74 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -135.01 147.57 49.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -169.21 151.79 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 51' ' ' ASP . 1.1 pp -86.58 -11.07 52.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.707 ' N ' HD12 ' A' ' 50' ' ' LEU . 32.2 m-20 -126.14 119.66 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' HD2' ' CE2' ' A' ' 83' ' ' TYR . 13.6 ptmt -87.12 -28.44 22.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -42.92 -25.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.1 pt -86.52 155.75 56.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.495 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 137.98 36.76 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.8 tp -39.03 -25.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' PRO . 15.0 m-20 -69.18 -45.4 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' PRO . 4.4 t0 -64.28 -24.1 67.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HD2' ' A' ' 85' ' ' ARG . 14.5 m0 -56.83 168.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.7 mt -87.31 100.88 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 2.8 ttp -80.87 144.91 31.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -138.78 124.47 19.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.1 m -83.7 125.5 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.703 HD13 ' CH2' ' A' ' 31' ' ' TRP . 8.3 mt -120.22 152.87 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.4 p -49.56 172.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 -5.44 60.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.5 -39.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.2 146.07 55.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.464 ' HA ' ' NE1' ' A' ' 31' ' ' TRP . 21.3 mt -121.42 23.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.542 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 4.7 p -140.96 159.99 41.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 78.5 t60 -148.22 125.64 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -99.35 130.28 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.4 mt -114.07 142.22 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 43.9 mtm -125.95 160.53 29.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 64.01 53.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 76' ' ' LEU . 14.5 mt -106.78 147.32 29.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' C ' HD12 ' A' ' 78' ' ' LEU . 88.5 m-20 -65.54 152.19 44.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.636 HD23 HG12 ' A' ' 108' ' ' VAL . 2.3 mp -105.83 165.7 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p30 45.9 29.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.6 m -131.23 152.76 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 28.9 tpp -87.59 133.07 33.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 9.4 m-85 -126.96 123.94 38.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 52' ' ' LYS . 9.3 m-85 -87.2 136.07 33.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.949 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.792 ' CD2' HG21 ' A' ' 17' ' ' VAL . 81.0 m-85 -111.5 137.93 48.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 29.5 mtt180 -152.19 105.55 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 12' ' ' PRO . 16.8 tt -113.09 162.2 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 2.9 pt20 -144.94 177.59 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.629 ' HB1' ' CD1' ' A' ' 41' ' ' ILE . . . -118.04 137.59 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -130.26 125.6 35.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' SER . 33.7 p30 -111.3 170.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' ASN . 3.7 t -37.76 -33.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -69.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.53 -154.97 8.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.98 148.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.41 -157.08 25.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 176.4 6.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.332 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mp -114.89 164.31 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.0 p -81.36 170.82 15.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.04 146.98 99.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.821 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 107.38 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.474 HD12 ' HG ' ' A' ' 15' ' ' LEU . 27.7 mt -80.48 134.28 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.1 mp -93.01 100.02 12.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -120.73 110.48 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -79.83 121.21 25.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 6.6 p -63.04 166.5 5.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.0 mt -68.34 166.04 17.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -129.28 99.2 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.636 HG12 HD23 ' A' ' 78' ' ' LEU . 13.0 p -97.56 -17.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.8 p -106.76 73.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.28 -174.62 15.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' SER . 53.7 Cg_endo -69.72 128.56 16.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 111' ' ' PRO . 1.4 t 38.19 44.34 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 p -55.69 135.24 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.499 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -116.22 120.57 39.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 m -96.23 88.97 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.54 -92.41 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 m -56.75 149.94 17.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -128.12 -44.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.34 166.57 4.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.453 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 135.32 30.29 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.68 2.253 . . . . 0.0 112.388 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.0 p -102.32 21.19 15.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.9 t -153.96 140.3 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -83.67 168.71 20.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.72 166.95 25.82 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -129.13 -174.7 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.4 t70 54.89 30.38 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 101' ' ' ILE . 62.2 tp -73.56 103.66 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.2 m -125.67 146.73 49.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 29' ' ' VAL . 63.3 t -127.78 117.54 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 pt -123.26 143.06 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 19' ' ' THR . 8.8 t -74.45 120.19 19.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.855 ' CD ' HD11 ' A' ' 28' ' ' ILE . 1.2 tpt180 -42.88 141.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -21.05 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.07 -9.82 25.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 30.9 mttp -139.39 115.08 8.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.623 0.725 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 23' ' ' LYS . 53.8 Cg_endo -69.79 -35.27 12.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.385 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -85.13 1.0 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 23' ' ' LYS . . . -109.67 140.79 43.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 19' ' ' THR . 17.4 m -136.84 133.69 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.855 HD11 ' CD ' ' A' ' 20' ' ' ARG . 17.4 mm -91.5 96.52 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.677 HG22 HG22 ' A' ' 17' ' ' VAL . 56.4 t -83.85 105.19 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.5 p -98.53 172.41 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.764 ' CH2' HD13 ' A' ' 64' ' ' ILE . 41.6 p90 -173.37 -175.57 1.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.7 mm-40 -139.19 161.12 59.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.84 137.58 35.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.633 2.222 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.3 67.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 35' ' ' LEU . 2.5 mm? -64.31 -59.17 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -87.16 67.03 9.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' ASN . . . -78.0 -7.1 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 37' ' ' ALA . 70.1 m-80 34.06 41.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 132.14 116.76 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.512 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . 21.7 tttp -34.01 110.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.706 HG21 ' CE1' ' A' ' 44' ' ' TYR . 23.7 mm -43.45 137.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.6 p -112.53 -13.18 13.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.91 142.77 10.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.706 ' CE1' HG21 ' A' ' 41' ' ' ILE . 69.5 m-85 -119.0 117.54 29.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.0 mp -102.35 120.21 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 71' ' ' HIS . 7.0 tp -107.24 148.17 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.584 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.8 m-85 -133.01 132.87 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -142.63 140.12 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -159.16 151.85 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 1.3 pt? -77.17 -25.01 51.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.59 136.41 54.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.591 ' HE2' ' CE2' ' A' ' 83' ' ' TYR . 10.8 ptpt -96.31 -27.15 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -40.5 -29.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.03 155.74 67.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 0.0 111.176 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.8 Cg_endo -69.82 138.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.429 HG12 HD11 ' A' ' 97' ' ' LEU . 9.8 tp -38.3 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.2 t70 -67.82 -49.19 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' PRO . 6.6 t0 -60.51 -23.86 64.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.414 ' CD1' ' N ' ' A' ' 59' ' ' TRP . 13.7 m0 -58.18 176.39 0.17 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -98.11 100.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.609 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.79 143.68 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -138.28 123.91 19.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.1 m -80.91 135.33 35.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.764 HD13 ' CH2' ' A' ' 31' ' ' TRP . 6.0 mt -131.04 142.45 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -59.9 133.82 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.06 -14.99 34.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -78.35 -33.29 49.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -92.16 153.54 19.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 37.6 mt -121.66 14.05 10.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 18.0 p -135.0 161.62 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CD2' HD23 ' A' ' 46' ' ' LEU . 81.4 t60 -146.65 128.77 15.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HG3' HD13 ' A' ' 28' ' ' ILE . 27.3 tt0 -103.55 120.5 41.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' CD2' ' A' ' 71' ' ' HIS . 71.4 mt -102.09 140.55 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 25.8 mtm -122.79 170.82 9.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 57.09 55.04 6.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.4 149.15 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -64.27 160.9 17.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 78' ' ' LEU . 3.0 mm? -102.42 140.53 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 78' ' ' LEU . 4.5 p-10 48.57 50.42 17.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.4 m -136.8 134.52 37.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.9 tpt -66.67 127.66 33.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 4.0 m-85 -129.58 120.23 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.591 ' CE2' ' HE2' ' A' ' 52' ' ' LYS . 9.4 m-85 -83.8 141.47 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.665 ' CZ ' HG11 ' A' ' 17' ' ' VAL . 76.0 m-85 -117.06 135.66 53.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -151.87 111.45 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.745 HG23 ' CG ' ' A' ' 12' ' ' PRO . 19.8 tt -113.99 166.53 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 97' ' ' LEU . 3.1 pt20 -147.62 174.14 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.48 139.71 50.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -135.97 126.06 26.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LYS . 33.1 p30 -114.62 169.67 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 90' ' ' ASN . 50.3 m -37.71 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -74.17 -69.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -165.76 -156.42 9.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.95 133.05 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -160.66 30.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -163.12 0.1 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 87' ' ' GLN . 5.2 mt -121.62 -176.88 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.5 t -112.34 166.67 11.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.0 141.52 93.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.711 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 119.48 6.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 15' ' ' LEU . 64.2 mt -89.74 139.66 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.64 104.69 16.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -128.59 110.87 12.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -80.94 122.63 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 2.1 p -59.44 156.89 12.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.0 mt -63.13 176.53 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 115.86 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 78' ' ' LEU . 77.6 t -70.68 120.45 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 t -157.97 105.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.12 -175.02 1.61 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -18.43 36.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.5 m -136.47 133.62 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 m -83.47 -45.21 13.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.44 162.32 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.1 m -126.69 152.36 46.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 108.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -87.71 111.49 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -112.19 112.14 23.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.71 -153.38 2.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 90' ' ' ASN . 54.1 Cg_endo -69.73 148.29 64.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -105.93 10.36 32.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 t -145.59 151.05 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -88.68 168.54 15.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.838 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.9 Cg_endo -69.75 169.66 18.38 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.303 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 32' ' ' GLN . 20.0 pttt -127.99 -175.47 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.5 t70 57.4 30.25 18.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 30' ' ' SER . 50.6 tp -73.41 115.33 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -138.29 138.53 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 29' ' ' VAL . 89.7 t -117.99 118.67 59.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.7 pt -125.88 141.41 45.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -72.11 151.3 43.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.923 ' CD ' HD11 ' A' ' 28' ' ' ILE . 2.0 tpt85 -77.83 140.58 39.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.79 -33.99 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.25 7.89 52.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -157.05 107.71 1.91 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -30.93 21.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -82.73 0.41 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 20' ' ' ARG . . . -104.46 156.32 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.7 m -152.4 131.08 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.923 HD11 ' CD ' ' A' ' 20' ' ' ARG . 5.8 mm -93.57 93.83 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.914 HG22 HG22 ' A' ' 17' ' ' VAL . 93.1 t -81.53 103.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 15' ' ' LEU . 94.5 p -97.54 172.05 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.827 ' CH2' HD13 ' A' ' 64' ' ' ILE . 35.0 p90 -175.19 -175.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 2.9 mm-40 -138.66 160.64 62.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.676 0.751 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 32' ' ' GLN . 53.8 Cg_endo -69.8 136.87 33.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 155.88 64.73 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 35' ' ' LEU . 3.1 mm? -78.32 -40.39 36.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 36.6 mt-10 -87.5 26.5 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -39.72 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' GLU . 92.4 m-20 54.34 25.88 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' LYS . . . 140.1 129.59 2.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' GLY . 17.4 ttpt -33.92 124.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG21 ' CE1' ' A' ' 44' ' ' TYR . 35.2 mm -68.17 148.58 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 p -124.68 -24.17 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 146.03 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE1' HG21 ' A' ' 41' ' ' ILE . 41.8 m-85 -121.24 118.88 30.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.604 ' CG2' ' CG ' ' A' ' 61' ' ' MET . 3.1 mp -101.26 123.52 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.646 HD23 ' CD2' ' A' ' 71' ' ' HIS . 13.5 tp -110.87 146.06 37.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 61' ' ' MET . 1.0 OUTLIER -130.43 133.3 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -144.0 145.98 32.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.48 HG21 ' CE2' ' A' ' 59' ' ' TRP . 15.0 t -166.91 151.78 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 50' ' ' LEU . 1.9 pt? -85.04 -19.88 31.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.95 119.73 36.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' HB3' ' CE2' ' A' ' 83' ' ' TYR . 5.0 pttp -86.21 -28.68 23.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.98 -31.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.5 pt -82.66 155.01 68.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.585 0.707 . . . . 0.0 111.168 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.6 Cg_endo -69.75 138.55 38.11 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.313 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.45 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.8 tp -40.62 -25.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 1.4 m-20 -70.02 -45.03 68.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' PRO . 14.3 m-20 -64.92 -25.73 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.48 ' CE2' HG21 ' A' ' 49' ' ' THR . 16.6 m0 -53.38 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.9 mp -101.17 100.31 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.145 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.604 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 6.0 ttp -80.77 141.83 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -134.51 126.5 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 m -84.02 132.52 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.827 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.3 mt -127.07 150.21 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 130.02 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.49 -16.17 9.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.2 -39.1 34.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -83.82 153.03 24.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 31.6 mt -121.6 13.9 10.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 p -137.36 158.6 44.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.646 ' CD2' HD23 ' A' ' 46' ' ' LEU . 77.6 t60 -143.44 130.89 21.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -102.62 132.39 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.0 mt -114.04 143.67 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 27.3 mtm -128.1 158.06 39.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 71.34 46.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.88 146.27 25.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.674 ' C ' HD22 ' A' ' 78' ' ' LEU . 53.1 m-20 -55.93 177.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 77' ' ' ASN . 2.4 mm? -118.21 145.58 44.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 44.43 33.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 90.7 m -121.5 139.12 53.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.486 ' SD ' ' N ' ' A' ' 103' ' ' PHE . 43.9 tpp -72.39 133.28 44.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 50' ' ' LEU . 10.5 m-85 -127.52 127.89 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 52' ' ' LYS . 10.1 m-85 -88.93 138.11 31.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' HG21 ' A' ' 17' ' ' VAL . 88.6 m-85 -118.86 136.61 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -152.05 106.83 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HG2' ' A' ' 12' ' ' PRO . 19.9 tt -111.97 161.23 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 3.1 pt20 -143.53 -176.54 5.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -120.79 136.23 54.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CB ' HD11 ' A' ' 45' ' ' ILE . 47.6 ttt85 -132.09 127.3 35.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' LYS . 15.6 p30 -116.44 170.35 8.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -43.42 -22.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -80.81 -65.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.28 -154.21 8.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.0 142.37 44.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.501 ' O ' ' NE2' ' A' ' 87' ' ' GLN . . . -97.81 -158.25 30.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' GLN . 54.0 Cg_endo -69.7 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mp -125.38 170.5 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 90.5 p -86.44 165.93 15.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.12 146.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 106.66 1.7 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.35 137.76 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.7 100.97 12.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.486 ' N ' ' SD ' ' A' ' 81' ' ' MET . 82.4 t80 -127.86 119.97 26.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -95.52 125.24 39.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 p -60.88 151.43 30.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 106' ' ' LEU . 10.3 mt -57.39 165.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HE3' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -97.86 118.19 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 108' ' ' VAL . 7.3 p -96.78 30.34 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.5 t -88.47 91.66 8.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.11 157.14 0.11 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 145.74 58.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.252 . . . . 0.0 112.406 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 t -48.58 139.25 9.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t 38.97 42.14 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.43 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -74.95 -44.26 49.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.842 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -75.01 143.31 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.74 -50.32 0.89 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -72.53 123.95 24.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.875 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -115.25 83.82 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.24 -164.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 144.04 52.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.724 2.282 . . . . 0.0 112.318 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 p -104.85 20.6 18.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -151.36 142.03 22.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.84 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -85.3 168.88 17.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.71 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.84 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 53.7 Cg_endo -69.74 167.38 24.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HE2' ' CD2' ' A' ' 35' ' ' LEU . 7.5 pttp -128.66 -174.44 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 31.1 t70 50.67 38.42 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 86' ' ' ILE . 51.3 tp -80.2 106.8 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 17' ' ' VAL . 29.7 m -125.67 154.07 42.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG21 ' CD2' ' A' ' 84' ' ' PHE . 60.9 t -131.19 126.13 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 pt -132.53 142.3 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.644 HG21 ' HG ' ' A' ' 106' ' ' LEU . 10.0 t -75.61 123.94 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.552 ' HD2' HD11 ' A' ' 28' ' ' ILE . 6.6 ttt-85 -52.58 141.05 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -14.41 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -99.68 -20.53 16.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -150.67 128.75 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.83 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -66.0 -14.53 61.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -97.22 142.61 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.9 154.35 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 20' ' ' ARG . 11.8 mm -112.71 102.29 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 HG22 ' A' ' 17' ' ' VAL . 59.7 t -89.97 104.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -91.31 167.3 12.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 64' ' ' ILE . 26.4 p90 -174.85 171.47 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -128.55 156.54 77.08 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.887 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.432 ' HD3' ' CD1' ' A' ' 69' ' ' LEU . 54.0 Cg_endo -69.68 137.58 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.73 2.287 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.67 62.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HE2' ' A' ' 13' ' ' LYS . 4.5 mm? -76.3 -39.26 54.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.76 42.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.92 -4.5 13.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 43.57 30.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.15 -132.46 4.21 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -127.32 114.81 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 0.0 110.833 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.894 HG21 ' CE1' ' A' ' 44' ' ' TYR . 31.0 mm -52.15 134.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 p -112.7 -17.54 12.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' HH11 ' A' ' 89' ' ' ARG . . . -158.73 150.13 20.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.894 ' CE1' HG21 ' A' ' 41' ' ' ILE . 56.6 m-85 -124.85 121.64 35.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 47' ' ' PHE . 3.4 mp -104.58 121.62 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.543 ' CD2' ' CD2' ' A' ' 71' ' ' HIS . 4.8 tp -109.48 147.86 32.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 45' ' ' ILE . 1.2 m-85 -133.7 133.58 42.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -137.62 143.04 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.603 HG21 ' CE2' ' A' ' 59' ' ' TRP . 5.2 t -161.22 169.88 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.563 ' H ' HD23 ' A' ' 50' ' ' LEU . 2.4 pt? -122.76 2.21 9.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASN . 11.8 m-20 -131.52 65.16 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' ASP . 10.2 ptmt -37.94 -26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 51' ' ' ASP . 23.4 m-20 -40.88 -39.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 51' ' ' ASP . 10.3 pt -81.62 155.67 70.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 57' ' ' ASP . 53.4 Cg_endo -69.76 140.41 42.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.355 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.524 HD12 ' CE3' ' A' ' 59' ' ' TRP . 9.0 tp -41.59 -25.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 55' ' ' PRO . 16.7 m-20 -67.0 -45.67 76.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.95 -26.43 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.603 ' CE2' HG21 ' A' ' 49' ' ' THR . 18.2 m0 -50.83 175.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 60' ' ' ILE . 4.5 mp -93.18 102.17 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.593 ' CG ' ' CG2' ' A' ' 45' ' ' ILE . 5.5 ttp -80.11 145.47 32.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 61' ' ' MET . 12.4 mm-40 -139.79 123.82 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.3 m -82.74 134.56 35.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.697 HD13 ' CH2' ' A' ' 31' ' ' TRP . 5.4 mt -129.63 152.35 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 t -60.05 133.27 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.31 -16.46 42.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -88.38 -32.6 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -81.73 150.09 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 61.1 mt -121.58 15.74 11.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.463 ' C ' ' CH2' ' A' ' 31' ' ' TRP . 9.0 p -134.83 158.15 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.543 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 71.2 t60 -146.01 124.55 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -98.82 123.36 43.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 49.7 mt -102.75 149.18 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.0 mtt -130.98 164.84 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.8 52.16 3.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.9 mt -105.16 151.93 23.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' C ' HD22 ' A' ' 78' ' ' LEU . 75.2 m-20 -65.87 164.65 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 78' ' ' LEU . 2.1 mm? -105.64 145.7 30.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' HB3' ' CG ' ' A' ' 107' ' ' LYS . 4.1 p30 47.16 39.13 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.7 m -129.04 140.23 51.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.2 ttm -75.96 134.06 40.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -128.71 119.62 24.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -77.96 131.57 37.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.843 ' CD2' HG21 ' A' ' 17' ' ' VAL . 71.3 m-85 -108.94 134.41 51.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 59' ' ' TRP . 28.8 mtt180 -148.23 105.13 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.597 HG23 ' HG2' ' A' ' 12' ' ' PRO . 17.8 tt -114.62 161.77 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.587 ' OE1' ' CE1' ' A' ' 47' ' ' PHE . 4.8 pt20 -144.05 -175.24 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB1' HD12 ' A' ' 41' ' ' ILE . . . -121.98 138.38 54.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.406 HH11 ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttt-85 -133.61 127.91 34.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' LYS . 24.3 p30 -115.85 169.42 9.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' ASN . 71.1 m -38.37 -31.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' ASN . 47.5 mmtt -73.24 -67.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.45 -149.37 5.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.59 138.67 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.99 -160.93 36.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -115.18 166.66 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -86.2 168.36 14.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -62.56 147.06 93.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.655 0.741 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 113.57 3.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 14.7 mt -86.67 136.16 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mp -96.98 100.97 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -123.8 114.14 19.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -83.77 119.95 25.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 25.5 p -62.62 159.4 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.644 ' HG ' HG21 ' A' ' 19' ' ' THR . 11.3 mt -54.16 170.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 79' ' ' ASP . 3.3 mptt -135.52 116.02 13.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 109' ' ' SER . 22.8 m -72.54 -44.07 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.504 ' N ' HG23 ' A' ' 108' ' ' VAL . 10.2 t -125.03 152.08 44.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 175.09 -131.94 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.73 45.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' SER . 4.5 t -63.69 -175.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' SER . 2.0 m 36.22 41.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 stop_ save_